2-(dimethylamino)-N-methylacetamide

• ChemBase ID: 244056
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(CN(C)C)NC
• Canonical SMILES: CNC(=O)CN(C)C
• InChI: InChI=1S/C5H12N2O/c1-6-5(8)4-7(2)3/h4H2,1-3H3,(H,6,8)
• InChIKey: JEBQLPWDWZIMSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-methylacetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-methylacetamide
• Synonyms: 2-(dimethylamino)-N-methylacetamide

Database IDs

• MDL Number: MFCD19159649
• PubChem SID: 164299966
• PubChem CID: 13601883

CALCULATED PROPERTIES

• Acid pKa: 16.241358
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9085896
• LogD (pH = 7.4): -1.2703736
• Log P: -0.91511375
• Molar Refractivity: 32.7916 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.657

Product Information

• Purity: 95%