2-bromo-N,N-diethylacetamide

• ChemBase ID: 307801
• Molecular Formular: C6H12BrNO
• Molecular Mass: 194.06958
• Monoisotopic Mass: 193.01022601
• SMILES: C(=O)(N(CC)CC)CBr
• Canonical SMILES: CCN(C(=O)CBr)CC
• InChI: InChI=1S/C6H12BrNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3
• InChIKey: LHNPENNQGSGOTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2430-01-5
• MDL Number: MFCD06800061

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8535188
• LogD (pH = 7.4): 0.8535188
• Log P: 0.8535188
• Molar Refractivity: 41.4932 cm^3
• Polarizability: 15.812774 Å^3
• Polar Surface Area: 20.31 Å^2