Molecular Weight of Cyclohexanone semicarbazone (C7H13N3O)
Identification of Cyclohexanone semicarbazone Chemical Compound
| Chemical Formula | C7H13N3O |
|---|---|
| Molecular Weight | 155.19762 g/mol |
| IUPAC Name | (cyclohexylideneamino)urea |
| SMILES String | NC(=O)NN=C1CCCCC1 |
| InChI | InChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11) |
| InChIKey | KZDDDHJBINUIKQ-UHFFFAOYSA-N |
Molecular Weight Description
The Cyclohexanone semicarbazone molecule consists of 13 Hydrogen atom(s), 7 Carbon atom(s), 3 Nitrogen atom(s), and 1 Oxygen atom(s) - a total of 24 atom(s). The molecular weight of Cyclohexanone semicarbazone is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 155.19762 · \frac{g}{mol} $$
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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Additional Information for Identifying Cyclohexanone semicarbazone Molecule
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Structure Data File (SDF/MOL File) of Cyclohexanone semicarbazone
The structure data file (SDF/MOL File) of Cyclohexanone semicarbazone is available for download in the SDF page of Cyclohexanone semicarbazone, which provides the information on atoms, bonds, connectivity and coordinates of Cyclohexanone semicarbazone. The Cyclohexanone semicarbazone 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 Cyclohexanone semicarbazone
The molecular structure image of Cyclohexanone semicarbazone is available in chemical structure page of Cyclohexanone semicarbazone, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Cyclohexanone semicarbazone and the chemical bonds that hold the atoms together.
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Chemical formula of Cyclohexanone semicarbazone
The molecular formula of Cyclohexanone semicarbazone is given in chemical formula page of Cyclohexanone semicarbazone, 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 Cyclohexanone semicarbazone
In addition to the molecular weight information, the structural information of Cyclohexanone semicarbazone in a textual expression is available via InChi. The full standard InChI of Cyclohexanone semicarbazone is given below:
InChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11)
It can provide a way to encode the molecular information of Cyclohexanone semicarbazone 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 Cyclohexanone semicarbazone is:
InChIKey=KZDDDHJBINUIKQ-UHFFFAOYSA-N
It may allow easier web searches for Cyclohexanone semicarbazone. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Cyclohexanone semicarbazone as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Cyclohexanone semicarbazone
There may be different names of the Cyclohexanone semicarbazone compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- BBV-38264251
- H2478
- amino-N-(cyclohexylideneazamethyl)amide
- MFCD00019484
- CYCLOHEXYLIDENEAMINOUREA
- cyclohexanalsemicarbazone
- AE-641/00777041
- CYCLOHEXANONE, SEMICARBAZONE
- Hydrazinecarboxamide, 2-cyclohexylidene-
- 1589-61-3
- Cyclohexanone semicarbazide
- Cyclohexanal semicarbazone
- 2-cyclohexylidenehydrazinecarboxamide
- Cyclohexanone semicarbazone
Cyclohexanone semicarbazone Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Cyclohexanone semicarbazone? |
|---|
| C7H13N3O |
| How many atoms and what are the elements in the Cyclohexanone semicarbazone molecule? |
| 24 atom(s) - 13 Hydrogen atom(s), 7 Carbon atom(s), 3 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Cyclohexanone semicarbazone structure? |
| 24 bond(s) - 11 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 1 six-membered ring(s), 1 urea (-thio) derivative(s), and 1 hydrazone(s) |
| What’s the molar mass of Cyclohexanone semicarbazone? |
| 155.19762 g/mol |
| What’s the SMILES format of Cyclohexanone semicarbazone? |
| NC(=O)NN=C1CCCCC1 |
| What’s the InChI format of Cyclohexanone semicarbazone? |
| InChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11) |
| What’s the InChIKey string of Cyclohexanone semicarbazone? |
| KZDDDHJBINUIKQ-UHFFFAOYSA-N |
2640
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).