spiro[2.5]octan-1-ylmethanamine hydrochloride

• ChemBase编号: 310214
• 分子式: C9H18ClN
• 平均质量: 175.69892
• 单一同位素质量: 175.11277726
• SMILES: C12(CC1CN)CCCCC2.Cl
• Canonical SMILES: NCC1CC21CCCCC2.Cl
• InChI: InChI=1S/C9H17N.ClH/c10-7-8-6-9(8)4-2-1-3-5-9;/h8H,1-7,10H2;1H
• InChIKey: KPEGWRREECZOKP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: spiro[2.5]octan-1-ylmethanamine hydrochloride
• IUPAC传统名: spiro[2.5]octan-1-ylmethanamine hydrochloride
• 别名: (spiro[2.5]oct-1-ylmethyl)amine hydrochloride

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.4117744
• LogD (pH = 7.4): -0.9905704
• Log P: 1.6121647
• 摩尔折射率: 42.8853 cm^3
• 极化性: 17.397926 Å^3
• 极化表面积: 26.02 Å^2