N-(2-hydroxy-2-phenylethyl)acetamide

• ChemBase ID: 234912
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: C(=O)(NCC(c1ccccc1)O)C
• Canonical SMILES: OC(c1ccccc1)CNC(=O)C
• InChI: InChI=1S/C10H13NO2/c1-8(12)11-7-10(13)9-5-3-2-4-6-9/h2-6,10,13H,7H2,1H3,(H,11,12)
• InChIKey: KJCJYQYRPOJUKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxy-2-phenylethyl)acetamide
• IUPAC Traditional name: N-(2-hydroxy-2-phenylethyl)acetamide
• Synonyms: N-(2-hydroxy-2-phenylethyl)acetamide

Database IDs

• MDL Number: MFCD00510150
• PubChem SID: 164290822
• PubChem CID: 270963

CALCULATED PROPERTIES

• Acid pKa: 14.093189
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.2875258
• LogD (pH = 7.4): 0.28752583
• Log P: 0.28752592
• Molar Refractivity: 49.9377 cm^3
• Polarizability: 19.515633 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 0.165

Product Information

• Purity: 95%