Phenyl-phenylamino-acetic acid ethyl ester
Basic information
- CAS
5634-58-2- Standard SMILES
CCOC(=O)C(Nc1ccccc1)c1ccccc1- InChIKey
HQRDTQDUUUEGHZ-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- Phenyl-phenylamino-acetic acid ethyl ester
- IUPAC
- ethyl 2-anilino-2-phenylacetate
- English name
- Phenyl-phenylamino-acetic acid ethyl ester
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
5634-58-2PHENYL-PHENYLAMINO-ACETIC ACID ETHYL ESTERDTXSID70328400RefChem:369810DTXCID50279507Ethyl 2-phenyl-2-(phenylamino)acetateEthyl anilino(phenyl)acetateSCHEMBL3937562ethyl N-phenyl-alpha-phenylglycinateAKOS008936149DB-321393Benzeneacetic acid, α-(phenylamino)-, ethyl ester
Database identifiers
- CAS
5634-58-2- PubChem CID
- 409885
- DTXSID
DTXSID70328400- Nikkaji
- J2.450.680K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 83 · 83-85 °C(Solvent: Ligroine)
- Boiling point
- 372.174 · 372.174±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.09 · 2.090±0.50(predicted)
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Compound notes
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