2-bromo-N-ethyl-N-methylpropanamide

• ChemBase ID: 308246
• Molecular Formular: C6H12BrNO
• Molecular Mass: 194.06958
• Monoisotopic Mass: 193.01022601
• SMILES: C(=O)(N(CC)C)C(Br)C
• Canonical SMILES: CCN(C(=O)C(Br)C)C
• InChI: InChI=1S/C6H12BrNO/c1-4-8(3)6(9)5(2)7/h5H,4H2,1-3H3
• InChIKey: FVNKDGISNDDCFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-ethyl-N-methylpropanamide
• IUPAC Traditional name: 2-bromo-N-ethyl-N-methylpropanamide
• Synonyms: 2-bromo-N-ethyl-N-methylpropanamide

Database IDs

• CAS Number: 1060817-26-6
• MDL Number: MFCD11053939

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0654751
• LogD (pH = 7.4): 1.0654751
• Log P: 1.0654751
• Molar Refractivity: 41.2385 cm^3
• Polarizability: 15.814321 Å^3
• Polar Surface Area: 20.31 Å^2