(4-aminobutyl)diethylamine dihydrochloride

• ChemBase ID: 262331
• Molecular Formular: C8H22Cl2N2
• Molecular Mass: 217.17968
• Monoisotopic Mass: 216.11600407
• SMILES: N(CC)(CC)CCCCN.Cl.Cl
• Canonical SMILES: NCCCCN(CC)CC.Cl.Cl
• InChI: InChI=1S/C8H20N2.2ClH/c1-3-10(4-2)8-6-5-7-9;;/h3-9H2,1-2H3;2*1H
• InChIKey: FVAJPULVNNBZLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminobutyl)diethylamine dihydrochloride
• IUPAC Traditional name: (4-aminobutyl)diethylamine dihydrochloride
• Synonyms: (4-aminobutyl)diethylamine dihydrochloride

Database IDs

• MDL Number: MFCD12913134
• PubChem SID: 164318241
• PubChem CID: 45792034

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.820497
• LogD (pH = 7.4): -4.734128
• Log P: 0.684124
• Molar Refractivity: 46.9451 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.776

Product Information

• Purity: 95%