N-butyl-2-chloro-N-methylacetamide

• ChemBase ID: 34744
• Molecular Formular: C7H14ClNO
• Molecular Mass: 163.64516
• Monoisotopic Mass: 163.07639175
• SMILES: C(=O)(N(CCCC)C)CCl
• Canonical SMILES: CCCCN(C(=O)CCl)C
• InChI: InChI=1S/C7H14ClNO/c1-3-4-5-9(2)7(10)6-8/h3-6H2,1-2H3
• InChIKey: FMDCVGFKCSILHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2-chloro-N-methylacetamide
• IUPAC Traditional name: N-butyl-2-chloro-N-methylacetamide
• Synonyms: N-Butyl-2-chloro-N-methylacetamide

Database IDs

• MDL Number: MFCD03030385
• PubChem SID: 160998051
• PubChem CID: 18936900

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2783066
• LogD (pH = 7.4): 1.2783066
• Log P: 1.2783066
• Molar Refractivity: 42.8861 cm^3
• Polarizability: 16.679897 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false