dibutyl(3-chloropropyl)amine

• ChemBase ID: 287371
• Molecular Formular: C11H24ClN
• Molecular Mass: 205.76796
• Monoisotopic Mass: 205.15972745
• SMILES: CCCCN(CCCC)CCCCl
• Canonical SMILES: CCCCN(CCCCl)CCCC
• InChI: InChI=1S/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3
• InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyl(3-chloropropyl)amine
• IUPAC Traditional name: dibutyl(3-chloropropyl)amine
• Synonyms: N-Butyl-N-(3-chloropropyl)butan-1-amine

Database IDs

• CAS Number: 36421-15-5
• MDL Number: MFCD13185966
• PubChem SID: 180672902
• PubChem CID: 96084

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.10940149
• LogD (pH = 7.4): 1.0752412
• Log P: 3.562417
• Molar Refractivity: 61.944 cm^3
• Polarizability: 24.335556 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%