Molecular Weight of Diphenan (C14H13NO2)
Identification of Diphenan Chemical Compound
Chemical Formula | C14H13NO2 |
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Molecular Weight | 227.25852 g/mol |
IUPAC Name | (4-benzylphenyl) carbamate |
SMILES String | NC(=O)Oc2ccc(Cc1ccccc1)cc2 |
InChI | InChI=1S/C14H13NO2/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16) |
InChIKey | ZBJBRUSGEJORQL-UHFFFAOYSA-N |
Molecular Weight Description
The Diphenan molecule consists of 13 Hydrogen atom(s), 14 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) - a total of 30 atom(s). The molecular weight of Diphenan is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 227.25852 · \frac{g}{mol} $$
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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Diphenan Molecule
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Structure Data File (SDF/MOL File) of Diphenan
The structure data file (SDF/MOL File) of Diphenan is available for download in the SDF page of Diphenan, which provides the information on atoms, bonds, connectivity and coordinates of Diphenan. The Diphenan 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 Diphenan
The molecular structure image of Diphenan is available in chemical structure page of Diphenan, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Diphenan and the chemical bonds that hold the atoms together.
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Chemical formula of Diphenan
The molecular formula of Diphenan is given in chemical formula page of Diphenan, 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 Diphenan
In addition to the molecular weight information, the structural information of Diphenan in a textual expression is available via InChi. The full standard InChI of Diphenan is given below:
InChI=1S/C14H13NO2/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)
It can provide a way to encode the molecular information of Diphenan 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 Diphenan is:
InChIKey=ZBJBRUSGEJORQL-UHFFFAOYSA-N
It may allow easier web searches for Diphenan. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Diphenan as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Diphenan
There may be different names of the Diphenan compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- SR-01000945032-1
- CAS-101-71-3
- p-Cresol, .alpha.-phenyl-, carbamate
- alpha-Phenyl-p-cresol carbamate
- U129BBY8DB
- (4-benzylphenyl)carbamate
- p-Cresol, carbamate
- Phenol, carbamate
- difenan
- Diphenan [INN:DCF]
- Difenano
- Diphenanum
- Parabencilfenol
- C14H13NO2
- Carbamic acid, .alpha.-phenyl-p-tolyl ester
- p-Hydroxydiphenylmethane carbamic acid ester
- .alpha.-Phenyl-p-cresol carbamate
- GNF-Pf-1544
- Phenol, 4-(phenylmethyl)-, carbamate
- p-Cresol, alpha-phenyl-, carbamate
- 4-Benzylphenyl carbamate
- Diphenan, pharmaceutical
- 4-(Phenylmethyl)phenol carbamate
- Parabencilfenol [Spanish]
- Diphenan (pharmaceutical)
- Diphenanum [INN-Latin]
- Diphenane [INN-French]
- Difenano [INN-Spanish]
- 101-71-3
- p-Benzylphenyl carbamate
- Palafuge
- Oxybulan
- Butolen
- Butolan
- Parabencil
- Carphenol
- Carbaurine
- Diphenane
- Diphenan
Diphenan Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Diphenan? |
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C14H13NO2 |
How many atoms and what are the elements in the Diphenan molecule? |
30 atom(s) - 13 Hydrogen atom(s), 14 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Diphenan structure? |
31 bond(s) - 18 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 1 (thio-) carbamate(s) (aromatic) |
What’s the molar mass of Diphenan? |
227.25852 g/mol |
What’s the SMILES format of Diphenan? |
NC(=O)Oc2ccc(Cc1ccccc1)cc2 |
What’s the InChI format of Diphenan? |
InChI=1S/C14H13NO2/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16) |
What’s the InChIKey string of Diphenan? |
ZBJBRUSGEJORQL-UHFFFAOYSA-N |
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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).