ethyl 2-(4-aminophenyl)acetate

• ChemBase ID: 75073
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: Nc1ccc(cc1)CC(=O)OCC
• Canonical SMILES: CCOC(=O)Cc1ccc(cc1)N
• InChI: InChI=1S/C10H13NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
• InChIKey: CFNDVXUTYPXOPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-aminophenyl)acetate
• IUPAC Traditional name: ethyl 2-(4-aminophenyl)acetate
• Synonyms: Ethyl 4-aminophenylacetate; 4-Aminophenylacetic acid ethyl ester; Ethyl 4-aminophenylacetate; Ethyl 2-(4-aminophenyl)acetate; 4-氨基苯乙酸乙酯

Database IDs

• CAS Number: 5438-70-0
• MDL Number: MFCD00017569
• PubChem SID: 162039991
• PubChem CID: 225219

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2568861
• LogD (pH = 7.4): 1.2844076
• Log P: 1.2847701
• Molar Refractivity: 51.5837 cm^3
• Polarizability: 19.595316 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46-48°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 98%