(3-aminobutyl)dimethylamine dihydrochloride

• ChemBase ID: 257549
• Molecular Formular: C6H18Cl2N2
• Molecular Mass: 189.12652
• Monoisotopic Mass: 188.08470395
• SMILES: C(CN(C)C)C(N)C.Cl.Cl
• Canonical SMILES: CN(CCC(N)C)C.Cl.Cl
• InChI: InChI=1S/C6H16N2.2ClH/c1-6(7)4-5-8(2)3;;/h6H,4-5,7H2,1-3H3;2*1H
• InChIKey: JKSSNMFOZCQGAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminobutyl)dimethylamine dihydrochloride
• IUPAC Traditional name: (3-aminobutyl)dimethylamine dihydrochloride
• Synonyms: N-(3-aminobutyl)-N,N-dimethylamine dihydrochloride

Database IDs

• MDL Number: MFCD11505487
• PubChem SID: 164313459
• PubChem CID: 43810709

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.0284076
• LogD (pH = 7.4): -3.977093
• Log P: -0.13027959
• Molar Refractivity: 37.2221 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 0.28

Product Information

• Purity: 95%