ethyl 2-(phenylamino)acetate

• ChemBase ID: 295804
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: CCOC(=O)CNc1ccccc1
• Canonical SMILES: CCOC(=O)CNc1ccccc1
• InChI: InChI=1S/C10H13NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
• InChIKey: MLSGRWDEDYJNER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(phenylamino)acetate
• IUPAC Traditional name: ethyl 2-(phenylamino)acetate
• Synonyms: N-Phenylglycine ethyl ester; N-苯基甘氨酸乙酯

Database IDs

• CAS Number: 2216-92-4
• EC Number: 218-702-2
• MDL Number: MFCD00038315
• Merck Index: 147292
• PubChem SID: 180681335
• PubChem CID: 75190

CALCULATED PROPERTIES

• Acid pKa: 16.422216
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4265659
• LogD (pH = 7.4): 1.4267075
• Log P: 1.4267093
• Molar Refractivity: 51.8541 cm^3
• Polarizability: 19.598146 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55-58°C

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99%