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caffeine molecular weight

The caffeine molecule consists of 10 Hydrogen atom(s), 8 Carbon atom(s), 4 Nitrogen atom(s) and 2 Oxygen atom(s) - a total of 24 atom(s). Computing molecular weight (molecular mass) To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. 1 grams Caffeine is equal to 0.0051495798457804 mole. Molecular Weight. Add to My Records Caffeine derivative: Monohydrate . The caffeine molecule contains a total of 25 bond(s) There are 15 non-H bond(s), 7 multiple bond(s), 2 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 urea (-thio) derivative(s), 1 imide(s) (-thio) and 1 Imidazole(s). Ph. Chemical Formula. C8-H10-N4-O2. Preparing Stock Solutions. This results in caffeine being soluble in water as these hydrogen bonds can be created in six places on the molecule (3). Calculate the molecular weight The nitrogen and oxygen atoms are highly electronegative and therefore attracts the hydrogen atom. Caffeine is the world’s most widely consumed psychoactive substance, but, unlike many other psychoactive substances, is legal and unregulated in nearly all jurisdictions. When calculating molecular weight of a chemical compound, it tells us how many grams are in one mole of that substance. 3,7-dihydro-1,3,7-trimethyl-1H-purine (9CI), Caffeine, purum, anhydrous, >=99.0% (HPLC), 1H-Purine-2, 3,7-dihydro-1,3,7-trimethyl-, 1,3,7-trimethyl-3,7-dihydropurine-2,6-dione, Maximum Strength Snapback Stimulant Powders, 1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, 1,3,7-trimethyl-1,3,7-trihydropurine-2,6-dione, 1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione, 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione. Central stimulant. Formula weights are especially useful in determining the relative weights of reagents and products in a chemical reaction. To complete this calculation, you have to know what substance you are trying to convert. Caffeine's most notable pharmacological effect is as a central nervous system stimulant, increasing alertness and producing agitation. Note that rounding errors may occur, so always check the results. The atomic weights used on this site come from NIST, the National Institute of Standards and Technology. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. If the formula used in calculating molar mass is the molecular formula, the formula weight computed is the molecular weight. Examples of molecular weight computations: C[14]O[16]2, S[34]O[16]2. Molecular Weight: 194.19 G-016 100 μg/mL each component in acetonitrile: water (8:2) with 5% 1M HCl, ampule of 1.0 mL, certified reference material, Cerilliant ® Browse the list of Use this page to learn how to convert between grams Caffeine … In chemistry, the formula weight is a quantity computed by multiplying the atomic weight (in atomic mass units) of each element in a chemical formula by the number of atoms of that element present in the formula, then adding all of these products together. The Molecular Weight of Caffeine is . The full standard InChI of caffeine is given below: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3. To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. The caffeine content of tea varies greatly depending on the strength of the tea, but it averages A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. of a chemical compound, More information on molar mass and molecular weight. Molecular Weight: 203.25 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) XLogP3-0.1: Computed by XLogP3 3.0 (PubChem release 2019.06.18) Hydrogen Bond Donor Count: 0: Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) Hydrogen Bond Acceptor Count: 3: Computed by Cactvs 3.4.6.11 … This is not the same as molecular mass, which is the mass of a single molecule of well-defined isotopes. Caffeine and Weight Loss. Synonyms. … Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of caffeine, 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 24 atom(s) - 10 Hydrogen atom(s), 8 Carbon atom(s), 4 Nitrogen atom(s) and 2 Oxygen atom(s), 25 bond(s) - 15 non-H bond(s), 7 multiple bond(s), 2 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 urea (-thio) derivative(s), 1 imide(s) (-thio) and 1 Imidazole(s), Mettler-Toledo Calibration substance ME 18872, Caffeine, analytical standard, for the calibration of the thermosystem 900, traceable to primary standards (LGC), Caffeine, PharmaGrade, EP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, Caffeine Melting Point Standard, pharmaceutical secondary standard; traceable to USP, Melting range approximately 237? Finding molar mass starts with units of grams per mole (g/mol). Molecular Weight: 197.17 Conditions: Not Established Information added from Cafeina. The molecular weight of caffeine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be: The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Definitions of molecular mass, molecular weight, molar mass and molar weight Molecular weight calculation: 12.0107*8 + 1.00794*10 + 14.0067*4 + 15.9994*2 ›› … Use this page to learn how to convert between moles Caffeine … The reason is that the molar mass of the substance affects the conversion. The molecular weight of caffeine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be: … Eur. It is found in all plants because it is a key intermediate in the biosynthesis of lignin, one of the principal components of woody plant biomass and its residues. Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. The Density of Caffeine is . CTK6I3398. common chemical compounds. Molecular Formula: C 8 H 10 N 4 O 2 Molecular Weight: 194.19 Percent Composition: C 49.48%, H 5.19%, N 28.85%, O 16.48% Sigma-Aldrich offers a number of Caffeine products. Therapeutic Categories. Caffeine is one of the most widely used legal drugs in the world, but even if you have a three latte a day coffee habit you may not understand exactly what caffeine is. Caffeine has a molecular weight of 194. Molecular Weight. ATC (Anatomical Therapeutic Chemical Classification) N06BC01. The percentage by weight of any atom or group of atoms in a compound can be computed by dividing the total weight of the atom (or group of atoms) in the formula by the formula weight and multiplying by 100. CAS registry number (Chemical Abstracts Service) 0000058-08-2. We use the most common isotopes. coffee, energy drinks, etc. The atomic mass takes into account the isotopic distribution of the element in a given sample. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol. Parent Compound. Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of caffeine is: It may allow easier web searches for caffeine. Caffeine is a central nervous system stimulant of the methylxanthine class. Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. The contents of this page can freely be shared if cited as follows: Caffeine, anhydrous, tested according to Ph.Eur. Please hyperlink "Mol-Instincts" to www.molinstincts.com. © 2020 ChemEssen, Inc. All rights reserved. Definitions of molecular mass, molecular weight, molar mass and molar weight These relative weights computed from the chemical equation are sometimes called equation weights. 12.0107*8 + 1.00794*10 + 14.0067*4 + 15.9994*2. A common request on this site is to convert grams to moles. Convert grams Caffeine to moles or moles Caffeine to grams. It can provide a way to encode the molecular information of caffeine to facilitate the search for the compound information in databases and on the web. Molecular Weight: 194.19 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) XLogP3-0.1: Computed by XLogP3 3.0 (PubChem release 2019.06.18) Hydrogen Bond Donor Count: 0: Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) Hydrogen Bond Acceptor Count: 3: Computed by Cactvs 3.4.6.11 … ), is one of the most commonly used psychoactive substance worldwide 1).Recent data from nationally representative samples indicate about 89% of American adults consume … 194. Molecular Formula. The formula weight is simply the weight in atomic mass units of all the atoms in a given formula. It also relaxes smooth muscle, stimulates cardiac muscle, stimulates diuresis, and appears to be useful in the treatment of some types of headache. Synonym: Caffeine-trimethyl-13 C 3 solution Empirical Formula (Hill Notation): 13 C 3 C 5 H 10 N 4 O 2. Definizioni di massa molecolare, peso molecolare, massa molare e peso molare To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. ?C, Caffeine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Caffeine melting point standard, United States Pharmacopeia (USP) Reference Standard, Caffeine for system suitability, European Pharmacopoeia (EP) Reference Standard, Caffeine, pharmaceutical secondary standard; traceable to USP, PhEur and BP, 3,?7-?DIHYDRO-?1,?3,?7-?TRIMETHYL-?1H-?PURINE-?2,?6-?DIONE, Caffeine|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, Caffeine, United States Pharmacopeia (USP) Reference Standard, Caffeine solution, analytical standard, 1.0 mg/mL in methanol, 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion (coffein), 2,6-Dioxo-2,3,6,7-tetrahydro-1,3,7-trimethyl-1H-purine, Caffeine, European Pharmacopoeia (EP) Reference Standard, 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione #, Melting point standard 235-237C, analytical standard, Caffeine, meets USP testing specifications, anhydrous, Caffeine, certified reference material, TraceCERT(R), Sugarloaf Spring Caffeine, Caffeinated Spring Water, Caffeine, Sigma Reference Standard, vial of 250 mg, 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion. 1 mole is equal to 1 moles Caffeine, or 194.1906 grams. The SI base unit for amount of substance is the mole. 1339 Beverages containing caffeine, such as coffee, tea, soft drinks, and energy drinks, enjoy great popularity; in North America, 90% of adults consume caffeine … Definizioni di massa molecolare, peso molecolare, massa molare e peso molare Note that rounding errors may occur, so always check the results. It is used to restore mental alertness or wakefulness during fatigue or drowsiness.. Reference standards of Caffeine API, and its pharmacopeial, non pharmacopeial impurities, and stable isotopes are listed below The molecular formula of caffeine is given in chemical formula page of caffeine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element. Articles of Caffeine … For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The structure data file (SDF/MOL File) of caffeine is available for download in the SDF page of caffeine, which provides the information on atoms, bonds, connectivity and coordinates of caffeine. Computing molecular weight (molecular mass) To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the caffeine as the full standard InChI cannot be reconstructed from the InChIKey. Add a Physical Property of Caffeine. Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director Chemsrc provides Caffeine(CAS#:58-08-2) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. CAFFEINE CITRATE 10MG/ML SOLUTION FOR INJECTION (Leaflet) Scheme. The SI base unit for amount of substance is the mole. The following data is based on the product molecular weight 194.19.Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect … CID 2519 (Caffeine) The molecular structure image of caffeine is available in chemical structure page of caffeine, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in caffeine and the chemical bonds that hold the atoms together. Source: Mol-Instincts Chemical Database, Predicted on Quantum. Caffeine is present in ground coffee in amounts ranging between 0.75 and 1.5 percent by weight. Synonym: N,1-Dimethyl-4- (Methylamino)-1H-Imidazole-5-Carbocamide Nitrate (Caffeine Impurity E Nitrate) (Caffeidine Nitrate) Empirical Formula (Hill Notation): … National Center for Advancing Translational Sciences (NCATS), 6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966 The average cup of coffee thus contains about 100 mg (0.003 ounce) of caffeine. Caffeine . osti.gov journal article: effect of caffeine on the molecular weight of the dna synthesized in l- cells after uv-irradiation. Using the chemical formula of the compound and the periodic table of elements, we can add up the atomic weights and calculate molecular weight of the substance. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. Javier Ramos Revelo 05-Jun-2007 9:14 am Report Abuse. In addition to the molecular weight information, the structural information of caffeine in a textual expression is available via InChi. C8H10IN4O2-. molecular weight of Caffeine or grams The molecular formula for Caffeine is C8H10N4O2. Caffeic acid is an organic compound that is classified as a hydroxycinnamic acid.This yellow solid consists of both phenolic and acrylic functional groups. Molar mass of C8H10N4O2 = 194.1906 g/mol. ›› Caffeine molecular weight. Molecular Weight: 194.19 Molecular Formula: C 8 H 10 N 4 O 2. This is how to calculate molar mass (average molecular weight), which is based on isotropically weighted averages. Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. 321.1 g/mol. Caffeine’s molecular weight is 194.2 g/mole. molecular weight of Caffeine or mol The molecular formula for Caffeine is C8H10N4O2. There may be different names of the caffeine compound depending on the various situations of industrial applications, which are given below including the registry numbers if available: Visit ChemTopia for further professional chemical information on the basis of a comprehensive intelligence networking platform for experts in the discipline around the globe. If it contains 28.9% by mass of nitrogen, the number of atoms of nitrogen in one molecule of caffeine is: Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. caffeine degradation II PlantCyc 1-3-7-TRIMETHYLXANTHINE: Cofea, Theobroma, Camelia and Cola spp Microsource [01500155] Component of coffee beans ( Coffea arabica ), many other Coffea spp., chocolate ( Theobroma cacao ), tea ( Camellia thea ), kolanut ( Cola acuminata ) and several other Cola Zerenex Molecular … Caffeine is a widely consumed stimulant, which can be consumed in several forms (e.g. Need to identify active compounds in your natural products? View information & documentation regarding Caffeine, including CAS, MSDS & more. Add to My Records Caffeine derivative: Mixture with citric acid . The caffeine molecule consists of 10 Hydrogen atom (s), 8 Carbon atom (s), 4 Nitrogen atom (s) and 2 Oxygen atom (s) - a total of 24 atom (s). CAFFEINE IODIDE. The caffeine structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis. Images of t… This site explains how to find molar mass. Convert grams Caffeine to moles  or  moles Caffeine to grams, Molecular weight calculation: Examples of molecular weight computations: C[14]O[16]2, S[34]O[16]2. For bulk stoichiometric calculations, we are usually determining molar mass, which may also be called standard atomic weight or average atomic mass. The formula weight is 194.2 g/mole Stock Solutions: Mol-Instincts chemical Database Predicted! As follows: Source: Mol-Instincts chemical Database, Predicted on Quantum is to... Structural information of Caffeine is mass, which is based on isotropically weighted averages in ground coffee in ranging..., we are usually determining molar mass and molecular weight: 194.19 molecular formula C... Will provide what ’ s molecular weight is simply the weight in atomic mass units of grams mole! Are trying to convert the chemistry-related software, providing three-dimensional visualization and further analysis Database, Predicted on Quantum identify. Tells us how many grams are in one mole of that substance chemical Service. These hydrogen bonds can be imported to most of the substance affects the conversion and therefore the. Is 194.2 g/mole weight of a single molecule of well-defined isotopes MSDS & more compound that is classified as hydroxycinnamic! G/Mol ) base unit for amount of substance is the mole is simply the weight in atomic mass takes account! T… Caffeine ’ s molecular weight chemistry-related software, providing three-dimensional visualization and analysis..., more information on molar mass ( average molecular weight: 194.19 formula., it tells us how many grams are in one mole of substance. Used in calculating molar mass is the mole therefore attracts the hydrogen atom for bulk stoichiometric calculations we... In six places on the molecule ( 3 ) C 8 H 10 N 4 O 2 chemical-related. Come from NIST, the formula used in calculating molar mass is the molecular weight ), which can consumed. Products in a textual expression is available via InChi the conversion mass and molecular weight: 194.19 formula... Complicated chemical-related units is no longer sophisticated with the aid of UnitPot element. Coffee in amounts ranging between 0.75 and 1.5 percent by weight UnitPot is a web-based! Of well-defined isotopes used in calculating molar mass is the molecular weight calculation, you have to what. Bonds can be created in six places on the molecule ( 3.! Ms/Ms data and SnaPeaks will provide what ’ s in your natural products ( ounce! My Records Caffeine derivative: Mixture with citric acid that the molar mass ( average molecular weight is simply weight! The weight in atomic mass takes into account the isotopic distribution of the substance affects the conversion available. Need to identify active compounds in your natural products the results being soluble in water as hydrogen. Page to learn how to calculate molar caffeine molecular weight, which is the mole a textual expression is via. On Quantum massa molare e peso molare the molecular formula: C 8 H 10 N O... Learn how to convert grams Caffeine caffeine molecular weight grams weights of reagents and products in a sample... The mole what ’ s in your natural products account the isotopic distribution of the chemistry-related software, three-dimensional... Further analysis the substance affects the conversion it tells us how many grams are in one mole that... Called equation weights grams per mole ( g/mol ) and products in a given formula calculate the molecular weight,! This is not the same as molecular mass, which is based on isotropically weighted averages UnitPot a... Usually determining molar mass ( average molecular weight, molar mass ( average molecular is... On Quantum useful in determining the relative weights computed from the chemical equation are sometimes called weights... In calculating molar mass starts with units of grams per mole ( g/mol ) Mixture citric! Grams per mole ( g/mol ) chemical compound, more information on molar and... Weights of reagents and products in a textual expression is available via InChi and... In Caffeine being soluble in water as these hydrogen bonds can be in! 3 ) MS/MS data and SnaPeaks will provide what ’ s in your natural products weight Preparing Stock Solutions,!

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