2-amino-N-methylpropanamide

• ChemBase ID: 261776
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: C(=O)(NC)C(N)C
• Canonical SMILES: CNC(=O)C(N)C
• InChI: InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)
• InChIKey: CKQYFZPCICOPMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methylpropanamide
• IUPAC Traditional name: 2-amino-N-methylpropanamide
• Synonyms: 2-amino-N-methylpropanamide; N~1~-methylalaninamide

Database IDs

• CAS Number: 32012-12-7
• MDL Number: MFCD09927582
• PubChem SID: 164317686
• PubChem CID: 541493

CALCULATED PROPERTIES

• Acid pKa: 16.123486
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8164928
• LogD (pH = 7.4): -2.1892858
• Log P: -1.1619779
• Molar Refractivity: 27.2162 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): -1.296

Product Information

• Purity: 95%