4-amino-N-methylbutanamide

• ChemBase ID: 308423
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(NC)CCCN
• Canonical SMILES: CNC(=O)CCCN
• InChI: InChI=1S/C5H12N2O/c1-7-5(8)3-2-4-6/h2-4,6H2,1H3,(H,7,8)
• InChIKey: IJUCBGPQWGGYBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-methylbutanamide
• IUPAC Traditional name: 4-amino-N-methylbutanamide
• Synonyms: 4-amino-N-methylbutanamide

Database IDs

• CAS Number: 23435-12-3
• MDL Number: MFCD09934786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2233243
• LogD (pH = 7.4): -3.6632144
• Log P: -1.2050681
• Molar Refractivity: 32.1767 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 55.12 Å^2