N-(3-aminophenyl)-2-hydroxyacetamide

• ChemBase ID: 269676
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)(Nc1cc(N)ccc1)CO
• Canonical SMILES: OCC(=O)Nc1cccc(c1)N
• InChI: InChI=1S/C8H10N2O2/c9-6-2-1-3-7(4-6)10-8(12)5-11/h1-4,11H,5,9H2,(H,10,12)
• InChIKey: BIYQLXLSSLKTNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminophenyl)-2-hydroxyacetamide
• IUPAC Traditional name: N-(3-aminophenyl)-2-hydroxyacetamide
• Synonyms: N-(3-aminophenyl)-2-hydroxyacetamide

Database IDs

• MDL Number: MFCD11213626
• PubChem SID: 164325586
• PubChem CID: 18431388

CALCULATED PROPERTIES

• Acid pKa: 12.854923
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.44630083
• LogD (pH = 7.4): -0.4353606
• Log P: -0.43521783
• Molar Refractivity: 47.3236 cm^3
• Polarizability: 16.985546 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): -0.73

Product Information

• Purity: 95%