2-hydroxy-N-methylacetamide

• ChemBase ID: 268521
• Molecular Formular: C3H7NO2
• Molecular Mass: 89.09318
• Monoisotopic Mass: 89.04767847
• SMILES: C(=O)(NC)CO
• Canonical SMILES: CNC(=O)CO
• InChI: InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)
• InChIKey: WFAFGNCZWMJZCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-methylacetamide
• IUPAC Traditional name: 2-hydroxy-N-methylacetamide
• Synonyms: 2-hydroxy-N-methylacetamide

Database IDs

• CAS Number: 5415-94-1
• MDL Number: MFCD02197926
• PubChem SID: 164324431
• PubChem CID: 223579

CALCULATED PROPERTIES

• Acid pKa: 13.6356735
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6238604
• LogD (pH = 7.4): -1.6238606
• Log P: -1.6238604
• Molar Refractivity: 21.0648 cm^3
• Polarizability: 8.1675 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.238

Product Information

• Purity: 95%