2-hydroxy-N,N-dimethylacetamide

• ChemBase ID: 57509
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: N(C(=O)CO)(C)C
• Canonical SMILES: OCC(=O)N(C)C
• InChI: InChI=1S/C4H9NO2/c1-5(2)4(7)3-6/h6H,3H2,1-2H3
• InChIKey: JNQVLKWNKVMFBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N,N-dimethylacetamide
• IUPAC Traditional name: 2-hydroxy-N,N-dimethylacetamide
• Synonyms: 2-Hydroxy-N,N-dimethylacetamide

Database IDs

• CAS Number: 14658-93-6
• MDL Number: MFCD12137922
• PubChem SID: 162062272
• PubChem CID: 12874682

CALCULATED PROPERTIES

• Acid pKa: 13.635126
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4001843
• LogD (pH = 7.4): -1.4001845
• Log P: -1.4001843
• Molar Refractivity: 25.9615 cm^3
• Polarizability: 9.982835 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32 - 34°C
• Hydrophobicity(logP): -0.76

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%