(2,6-dimethylpyridin-4-yl)methanamine dihydrochloride

• ChemBase编号: 90575
• 分子式: C8H14Cl2N2
• 平均质量: 209.11616
• 单一同位素质量: 208.05340382
• SMILES: n1c(cc(cc1C)CN)C.Cl.Cl
• Canonical SMILES: NCc1cc(C)nc(c1)C.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-6-3-8(5-9)4-7(2)10-6;;/h3-4H,5,9H2,1-2H3;2*1H
• InChIKey: ZEWVXNUCTKQQAV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,6-dimethylpyridin-4-yl)methanamine dihydrochloride
• IUPAC传统名: (2,6-dimethylpyridin-4-yl)methanamine dihydrochloride
• 别名: (2,6-Dimethylpyridin-4-yl)methylamine dihydrochloride; 4-(Aminomethyl)-2,6-dimethylpyridine dihydrochloride

登记号

• PubChem SID: 162104773
• PubChem CID: 51342013

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.883219
• LogD (pH = 7.4): -1.8126571
• Log P: 0.14408216
• 摩尔折射率: 41.5575 cm^3
• 极化性: 16.337837 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Harmful