N,N-dibutyl-4-chlorobutanamide

• ChemBase ID: 300953
• Molecular Formular: C12H24ClNO
• Molecular Mass: 233.77806
• Monoisotopic Mass: 233.15464207
• SMILES: CCCCN(CCCC)C(=O)CCCCl
• Canonical SMILES: CCCCN(C(=O)CCCCl)CCCC
• InChI: InChI=1S/C12H24ClNO/c1-3-5-10-14(11-6-4-2)12(15)8-7-9-13/h3-11H2,1-2H3
• InChIKey: UJIBJKONJLJLAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutyl-4-chlorobutanamide
• IUPAC Traditional name: N,N-dibutyl-4-chlorobutanamide
• Synonyms: N,N-Di-n-butyl-4-chlorobutyramide

Database IDs

• MDL Number: MFCD03375402

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1278794
• LogD (pH = 7.4): 3.1278796
• Log P: 3.1278796
• Molar Refractivity: 66.2141 cm^3
• Polarizability: 25.856293 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%