Phenyl N-(2-methylphenyl)carbamate
Basic information
- CAS
31827-08-4- Standard SMILES
Cc1ccccc1NC(=O)Oc1ccccc1- InChIKey
YDIDYQBGPNARLI-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- Phenyl N-(2-methylphenyl)carbamate
- IUPAC
- phenyl N-(2-methylphenyl)carbamate
- English name
- Phenyl N-(o-tolyl)carbamate
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
Phenyl N-(2-methylphenyl)carbamate31827-08-4DTXSID50403461RefChem:369705DTXCID20354315PHENYL N-(O-TOLYL)CARBAMATESCHEMBL6680218SCHEMBL8177930Phenyl (2-methylphenyl)carbamatephenyl-N-(2-methylphenyl)carbamateAKOS008916685Carbamic acid, N-(2-methylphenyl)-, phenyl ester
Database identifiers
- CAS
31827-08-4- PubChem CID
- 4454832
- DTXSID
DTXSID50403461
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 94 · 94-95 °C
- Boiling point
- 326 · 326.0±25.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 13.03 · 13.03±0.70(Predicted)
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Compound notes
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