hydrogen dibutylamine chloride

• ChemBase ID: 286758
• Molecular Formular: C8H19ClN-
• Molecular Mass: 164.69616
• Monoisotopic Mass: 164.12060229
• SMILES: C(NCCCC)CCC.[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/p-1
• InChIKey: ODYNBECIRXXOGG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6287-40-7
• MDL Number: MFCD00034885
• PubChem SID: 180672289
• PubChem CID: 19837801

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

Product Information

• Purity: 95+%