Phenylcarbamic acid
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Basic information
- CAS
31335-69-0- Standard SMILES
O=C(O)Nc1ccccc1- InChIKey
PWXJULSLLONQHY-UHFFFAOYSA-N- Molecular formula
- C7H7NO2
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.04767847
Overview
Phenylcarbamic acid is an amino acid. It is functionally related to a carbamic acid.
Names & identifiers
- Preferred name
- Phenylcarbamic acid
- IUPAC
- phenylcarbamic acid
- English name
- phenylcarbamic acid
- Molecular formula
- C7H7NO2
- Molecular weight
- 137.14
Names & synonyms
Phenylcarbamic acidCarbanilic acidCarbanilsaeurePhenylcarbamidsaeure501-82-6M19U56546GCHEBI:52496RefChem:929063DTXCID90858239DTXSID30953378N-Hydroxy-N-phenylformamiden-carboxyaniline
Show more names
Carbamic acid, N-phenyl-
N-PHENYLCARBAMIC ACIDN-Phenylformohydroxamic acidCCRIS 5135UNII-M19U56546GFORMOHYDROXAMIC ACID, N-PHENYL-BRN 2081248Carbamic acid, phenyl-SCHEMBL7634
Database identifiers
- CAS
31335-69-0、501-82-6- PubChem CID
- 10392
- DTXSID
DTXSID30953378- ChEBI
CHEBI:52496- UNII
- M19U56546G
- Nikkaji
- J9.399H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 113 · 113-114 °C
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- -1.84 · -1.84±0.12(Predicted)
- FDA UNII
- 19 U56546G · M19U56546G
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Phenylcarbamic acid is an amino acid. It is functionally related to a carbamic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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