(6-aminohexyl)trimethylazanium chloride hydrochloride

• ChemBase编号: 160165
• 分子式: C9H24Cl2N2
• 平均质量: 231.20626
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: (6-aminohexyl)trimethylazanium chloride hydrochloride
• IUPAC传统名: (6-aminohexyl)trimethylazanium chloride hydrochloride
• 别名: 6-Amino-N,N,N-trimethyl-1-hexanaminium Chloride Hydrochloride; (6-Aminohexyl)trimethylammonium Chloride Hydrochloride

登记号

• PubChem SID: 162254300
• PubChem CID: 71313264

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -6.326679
• LogD (pH = 7.4): -5.9069023
• Log P: -3.3026912
• 摩尔折射率: 62.5635 cm^3
• 极化性: 20.324352 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - A611085

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