ethyl 2-(2-aminophenyl)acetate hydrochloride

• ChemBase ID: 274586
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: C(=O)(Cc1c(N)cccc1)OCC.Cl
• Canonical SMILES: CCOC(=O)Cc1ccccc1N.Cl
• InChI: InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)7-8-5-3-4-6-9(8)11;/h3-6H,2,7,11H2,1H3;1H
• InChIKey: QITKMRXHUSYVSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-aminophenyl)acetate hydrochloride
• IUPAC Traditional name: ethyl 2-(2-aminophenyl)acetate hydrochloride
• Synonyms: ethyl 2-(2-aminophenyl)acetate hydrochloride; ETHYL 2-AMINOPHENYLACETATE HYDROCHLORIDE

Database IDs

• CAS Number: 61-88-1
• MDL Number: MFCD06659777
• PubChem SID: 164330496
• PubChem CID: 5743382

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2790526
• LogD (pH = 7.4): 1.2846977
• Log P: 1.2847701
• Molar Refractivity: 51.5837 cm^3
• Polarizability: 19.59555 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 1.072

Product Information

• Purity: 95%; 98%