N-benzyl-2-hydroxyacetamide

• ChemBase ID: 256901
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(=O)(NCc1ccccc1)CO
• Canonical SMILES: OCC(=O)NCc1ccccc1
• InChI: InChI=1S/C9H11NO2/c11-7-9(12)10-6-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)
• InChIKey: GUDMTEGDXVJZEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-hydroxyacetamide
• IUPAC Traditional name: N-benzylglycolamide
• Synonyms: N-benzyl-2-hydroxyacetamide

Database IDs

• MDL Number: MFCD08443475
• PubChem SID: 164312811
• PubChem CID: 231065

CALCULATED PROPERTIES

• Acid pKa: 13.62868
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.100612804
• LogD (pH = 7.4): 0.10061255
• Log P: 0.10061281
• Molar Refractivity: 45.6774 cm^3
• Polarizability: 17.678574 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101 - 103°C
• Hydrophobicity(logP): 0.597

Product Information

• Purity: 95%