4-amino-N,N-dimethylbutanamide

• ChemBase ID: 308867
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(N(C)C)CCCN
• Canonical SMILES: NCCCC(=O)N(C)C
• InChI: InChI=1S/C6H14N2O/c1-8(2)6(9)4-3-5-7/h3-5,7H2,1-2H3
• InChIKey: DCKBSBDKTQHGQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N-dimethylbutanamide
• IUPAC Traditional name: 4-amino-N,N-dimethylbutanamide
• Synonyms: 4-amino-N,N-dimethylbutanamide

Database IDs

• CAS Number: 87639-91-6
• MDL Number: MFCD09946311

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9996483
• LogD (pH = 7.4): -3.4395354
• Log P: -0.9813921
• Molar Refractivity: 37.0734 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 46.33 Å^2