2-(4-aminophenyl)-N-(2-hydroxyethyl)acetamide hydrochloride

• ChemBase ID: 266289
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: C(=O)(Cc1ccc(N)cc1)NCCO.Cl
• Canonical SMILES: OCCNC(=O)Cc1ccc(cc1)N.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c11-9-3-1-8(2-4-9)7-10(14)12-5-6-13;/h1-4,13H,5-7,11H2,(H,12,14);1H
• InChIKey: ZZRHSLYEAGHRFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)-N-(2-hydroxyethyl)acetamide hydrochloride
• IUPAC Traditional name: 2-(4-aminophenyl)-N-(2-hydroxyethyl)acetamide hydrochloride
• Synonyms: 2-(4-aminophenyl)-N-(2-hydroxyethyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD15209639
• PubChem SID: 164322199
• PubChem CID: 47002654

CALCULATED PROPERTIES

• Acid pKa: 15.377673
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.5175938
• LogD (pH = 7.4): -0.49164164
• Log P: -0.4913004
• Molar Refractivity: 55.0772 cm^3
• Polarizability: 20.66622 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Hydrophobicity(logP): -0.916

Product Information

• Purity: 95%