2-bromo-N,N-dimethylpropanamide

• ChemBase ID: 308099
• Molecular Formular: C5H10BrNO
• Molecular Mass: 180.043
• Monoisotopic Mass: 178.99457595
• SMILES: C(=O)(N(C)C)C(Br)C
• Canonical SMILES: O=C(N(C)C)C(Br)C
• InChI: InChI=1S/C5H10BrNO/c1-4(6)5(8)7(2)3/h4H,1-3H3
• InChIKey: ZEDHSSVDQTYBRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N,N-dimethylpropanamide
• IUPAC Traditional name: 2-bromo-N,N-dimethylpropanamide
• Synonyms: 2-bromo-N,N-dimethylpropanamide

Database IDs

• CAS Number: 54537-47-2
• MDL Number: MFCD00045031

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7086671
• LogD (pH = 7.4): 0.7086671
• Log P: 0.7086671
• Molar Refractivity: 36.4899 cm^3
• Polarizability: 14.021356 Å^3
• Polar Surface Area: 20.31 Å^2