ethyl 2-(3-aminophenyl)acetate

• ChemBase ID: 277639
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: C(=O)(Cc1cc(N)ccc1)OCC
• Canonical SMILES: CCOC(=O)Cc1cccc(c1)N
• InChI: InChI=1S/C10H13NO2/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h3-6H,2,7,11H2,1H3
• InChIKey: JEVUURMJLRJOSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(3-aminophenyl)acetate
• IUPAC Traditional name: ethyl 2-(3-aminophenyl)acetate
• Synonyms: ethyl 2-(3-aminophenyl)acetate

Database IDs

• MDL Number: MFCD11590554
• PubChem SID: 164333549
• PubChem CID: 13042040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2610418
• LogD (pH = 7.4): 1.2844632
• Log P: 1.2847701
• Molar Refractivity: 51.5837 cm^3
• Polarizability: 19.595346 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.122

Product Information

• Purity: 95%