dibutylamine hydrochloride

• ChemBase ID: 69535
• Molecular Formular: C8H20ClN
• Molecular Mass: 165.7041
• Monoisotopic Mass: 165.12842733
• SMILES: N(CCCC)CCCC.Cl
• Canonical SMILES: CCCCNCCCC.Cl
• InChI: InChI=1S/C8H19N.ClH/c1-3-5-7-9-8-6-4-2;/h9H,3-8H2,1-2H3;1H
• InChIKey: ODYNBECIRXXOGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylamine hydrochloride
• IUPAC Traditional name: dibutylamine hydrochloride
• Synonyms: Dibutylamine hydrochloride

Database IDs

• CAS Number: 6287-40-7
• MDL Number: MFCD00034885
• PubChem SID: 162035261
• PubChem CID: 3083954

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.78286564
• LogD (pH = 7.4): -0.5371046
• Log P: 2.4549196
• Molar Refractivity: 42.4406 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.656

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%