Molecular Weight of Trimethyl isocyanurate (C6H9N3O3)
Identification of Trimethyl isocyanurate Chemical Compound
Chemical Formula | C6H9N3O3 |
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Molecular Weight | 171.15396 g/mol |
IUPAC Name | 1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione |
SMILES String | Cn1c(=O)n(C)c(=O)n(C)c1=O |
InChI | InChI=1S/C6H9N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h1-3H3 |
InChIKey | AHWDQDMGFXRVFB-UHFFFAOYSA-N |
Molecular Weight Description
The Trimethyl isocyanurate molecule consists of 9 Hydrogen atom(s), 6 Carbon atom(s), 3 Nitrogen atom(s), and 3 Oxygen atom(s) - a total of 21 atom(s). The molecular weight of Trimethyl isocyanurate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 171.15396 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. 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.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Trimethyl isocyanurate Molecule
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Structure Data File (SDF/MOL File) of Trimethyl isocyanurate
The structure data file (SDF/MOL File) of Trimethyl isocyanurate is available for download in the SDF page of Trimethyl isocyanurate, which provides the information on atoms, bonds, connectivity and coordinates of Trimethyl isocyanurate. The Trimethyl isocyanurate structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Trimethyl isocyanurate
The molecular structure image of Trimethyl isocyanurate is available in chemical structure page of Trimethyl isocyanurate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Trimethyl isocyanurate and the chemical bonds that hold the atoms together.
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Chemical formula of Trimethyl isocyanurate
The molecular formula of Trimethyl isocyanurate is given in chemical formula page of Trimethyl isocyanurate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Trimethyl isocyanurate
In addition to the molecular weight information, the structural information of Trimethyl isocyanurate in a textual expression is available via InChi. The full standard InChI of Trimethyl isocyanurate is given below:
InChI=1S/C6H9N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h1-3H3
It can provide a way to encode the molecular information of Trimethyl isocyanurate to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Trimethyl isocyanurate is:
InChIKey=AHWDQDMGFXRVFB-UHFFFAOYSA-N
It may allow easier web searches for Trimethyl isocyanurate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Trimethyl isocyanurate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Trimethyl isocyanurate
There may be different names of the Trimethyl isocyanurate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- EN300-267511
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl- (9CI)
- s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl- (8CI)
- 1,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl-
- Z2471262609
- s-Triazine-2,6(1H,3H,5H)-trione, 1,3,5-trimethyl-
- 3B1-008301
- 1,3,5-Trimethyl-1,3,5-triazinane-2,4,6-trione #
- 1,3,5-trimethyl-[1,3,5]triazinane-2,4,6-trione
- SR-01000641172-1
- 1,5-Trimethyl-2,4,6-trioxohexahydrotriazine
- CCG-51902
- HMS1661F11
- methyl isocyanurate
- s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl-
- 1,3,5-Trimethyl-2,4,6-trioxohexahydrotriazine
- trimethyl-1,3,5-triazinane-2,4,6-trione
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl-
- Isocyanuric acid, trimethyl ester
- 827-16-7
- Methyl isocyanate trimer
- Trimethyl isocyanurate
Trimethyl isocyanurate Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Trimethyl isocyanurate? |
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C6H9N3O3 |
How many atoms and what are the elements in the Trimethyl isocyanurate molecule? |
21 atom(s) - 9 Hydrogen atom(s), 6 Carbon atom(s), 3 Nitrogen atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Trimethyl isocyanurate structure? |
21 bond(s) - 12 non-H bond(s), 3 multiple bond(s), 3 double bond(s), 1 six-membered ring(s), 3 urea (-thio) derivative(s), and 3 imide(s) (-thio) |
What’s the molar mass of Trimethyl isocyanurate? |
171.15396 g/mol |
What’s the SMILES format of Trimethyl isocyanurate? |
Cn1c(=O)n(C)c(=O)n(C)c1=O |
What’s the InChI format of Trimethyl isocyanurate? |
InChI=1S/C6H9N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h1-3H3 |
What’s the InChIKey string of Trimethyl isocyanurate? |
AHWDQDMGFXRVFB-UHFFFAOYSA-N |
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The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).