(6-aminohexyl)trimethylazanium chloride hydrochloride

• ChemBase ID: 160165
• Molecular Formular: C9H24Cl2N2
• Molecular Mass: 231.20626
• Monoisotopic Mass: 230.13165414
• SMILES: [N+](CCCCCCN)(C)(C)C.[Cl-].Cl
• Canonical SMILES: NCCCCCC[N+](C)(C)C.Cl.[Cl-]
• InChI: InChI=1S/C9H23N2.2ClH/c1-11(2,3)9-7-5-4-6-8-10;;/h4-10H2,1-3H3;2*1H/q+1;;/p-1
• InChIKey: KYXIPNYDLFDTEQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-aminohexyl)trimethylazanium chloride hydrochloride
• IUPAC Traditional name: (6-aminohexyl)trimethylazanium chloride hydrochloride
• Synonyms: 6-Amino-N,N,N-trimethyl-1-hexanaminium Chloride Hydrochloride; (6-Aminohexyl)trimethylammonium Chloride Hydrochloride

Database IDs

• PubChem SID: 162254300
• PubChem CID: 71313264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -6.326679
• LogD (pH = 7.4): -5.9069023
• Log P: -3.3026912
• Molar Refractivity: 62.5635 cm^3
• Polarizability: 20.324352 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - A611085

(6-Aminohexyl)trimethylammonium Chloride is a potent inhibitor and acts as substrate for pig kidney diamine oxidase.