{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine hydrochloride

• ChemBase编号: 261648
• 分子式: C9H19ClN2
• 平均质量: 190.71356
• 单一同位素质量: 190.1236763
• SMILES: N1(C2CC(CC1CC2)CN)C.Cl
• Canonical SMILES: NCC1CC2CCC(C1)N2C.Cl
• InChI: InChI=1S/C9H18N2.ClH/c1-11-8-2-3-9(11)5-7(4-8)6-10;/h7-9H,2-6,10H2,1H3;1H
• InChIKey: UPSHPOXBCXHFAG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine hydrochloride
• IUPAC传统名: {8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine hydrochloride
• 别名: {8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine hydrochloride

登记号

• MDL号: MFCD13544604
• PubChem SID: 164317558
• PubChem CID: 45791859

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -6.11313
• LogD (pH = 7.4): -4.9687862
• Log P: 0.38727963
• 摩尔折射率: 47.0693 cm^3
• 极化性: 18.918522 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.327

产品相关信息

• 纯度: 95%