321.1 g/mol. The formula weight is simply the weight in atomic mass units of all the atoms in a given formula. Javier Ramos Revelo 05-Jun-2007 9:14 am Report Abuse. Synonyms. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. This results in caffeine being soluble in water as these hydrogen bonds can be created in six places on the molecule (3). 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 reason is that the molar mass of the substance affects the conversion. Add a Physical Property of Caffeine. coffee, energy drinks, etc. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. Synonym: N,1-Dimethyl-4- (Methylamino)-1H-Imidazole-5-Carbocamide Nitrate (Caffeine Impurity E Nitrate) (Caffeidine Nitrate) Empirical Formula (Hill Notation): … Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. Chemical Formula. When calculating molecular weight of a chemical compound, it tells us how many grams are in one mole of that substance. Note that rounding errors may occur, so always check the results. Browse the list of This site explains how to find molar mass. 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. Synonym: Caffeine-trimethyl-13 C 3 solution Empirical Formula (Hill Notation): 13 C 3 C 5 H 10 N 4 O 2. 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 … 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 … 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: … Definitions of molecular mass, molecular weight, molar mass and molar weight The atomic mass takes into account the isotopic distribution of the element in a given sample. Molecular Weight: 194.19 Molecular Formula: C 8 H 10 N 4 O 2. National Center for Advancing Translational Sciences (NCATS), 6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966 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 ® These relative weights computed from the chemical equation are sometimes called equation weights. Caffeine, anhydrous, tested according to Ph.Eur. For bulk stoichiometric calculations, we are usually determining molar mass, which may also be called standard atomic weight or average atomic mass. Molecular Formula. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director Caffeine and Weight Loss. The SI base unit for amount of substance is the mole. 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. 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 … 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. Add to My Records Caffeine derivative: Monohydrate . molecular weight of Caffeine or grams The molecular formula for Caffeine is C8H10N4O2. Use this page to learn how to convert between grams Caffeine … We use the most common isotopes. Caffeine . 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). 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 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. 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. ATC (Anatomical Therapeutic Chemical Classification) N06BC01. Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. This is not the same as molecular mass, which is the mass of a single molecule of well-defined isotopes. 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? To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. Eur. 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. Conditions: Not Established Information added from Cafeina. Convert grams Caffeine to moles  or  moles Caffeine to grams, Molecular weight calculation: Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. 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