ethyl 2-(4-aminophenyl)acetate hydrochloride

• ChemBase ID: 293149
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: O=C(OCC)Cc1ccc(N)cc1.Cl
• Canonical SMILES: CCOC(=O)Cc1ccc(cc1)N.Cl
• InChI: InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)7-8-3-5-9(11)6-4-8;/h3-6H,2,7,11H2,1H3;1H
• InChIKey: MXLBNYJANXBQHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-aminophenyl)acetate hydrochloride
• IUPAC Traditional name: ethyl 2-(4-aminophenyl)acetate hydrochloride
• Synonyms: Ethyl 2-(4-aminophenyl)acetate hydrochloride

Database IDs

• CAS Number: 59235-35-7
• MDL Number: MFCD17676587
• PubChem SID: 180678680
• PubChem CID: 24192282

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

Product Information

• Purity: 95+%