Basic information
- CAS
60561-70-8- Standard SMILES
Cc1ccccc1NC(C(=O)O)c1ccccc1- InChIKey
HWJGUBMEOAQIMJ-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- (2-Methylanilino)(phenyl)acetic acid
- IUPAC
- 2-(2-methylanilino)-2-phenylacetic acid
- English name
- Phenyl-o-tolylamino-acetic acid
- Molecular formula
- C15H15NO2
- Molecular weight
- 241.29
Names & synonyms
60561-70-8DTXSID30976002(2-Methylanilino)(phenyl)acetic acidRefChem:1049716DTXCID9014033852-Phenyl-N-(o-tolyl)glycineBRN 3056243GLYCINE, 2-PHENYL-N-(o-TOLYL)-Phenyl-o-tolylamino-acetic acidBenzeneacetic acid, alpha-((2-methylphenyl)amino)-0-14-00-00466 (Beilstein Handbook Reference)SCHEMBL2483409
Show more names
Benzeneacetic acid, α-[(2-methylphenyl)amino]-
AKOS005797136
Database identifiers
- CAS
60561-70-8- PubChem CID
- 43358
- DTXSID
DTXSID30976002
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 424.003 · 424.003±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.686 · 1.686±0.10(predicted)
Chemistry & industry
Suppliers4 total
Fluorochem Ltd[email protected]
FLRO-SR[email protected]
OAKWOOD[email protected]
CHEMCOLLECT[email protected]
Related reactions
2 records
Compound notes
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