N,6-dimethyl-2-(piperidin-4-ylmethyl)pyrimidin-4-amine dihydrochloride

• ChemBase编号: 62965
• 分子式: C12H22Cl2N4
• 平均质量: 293.23588
• 单一同位素质量: 292.12215208
• SMILES: n1c(nc(cc1NC)C)CC1CCNCC1.Cl.Cl
• Canonical SMILES: CNc1nc(CC2CCNCC2)nc(c1)C.Cl.Cl
• InChI: InChI=1S/C12H20N4.2ClH/c1-9-7-11(13-2)16-12(15-9)8-10-3-5-14-6-4-10;;/h7,10,14H,3-6,8H2,1-2H3,(H,13,15,16);2*1H
• InChIKey: URZVGJXLNCEUSF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,6-dimethyl-2-(piperidin-4-ylmethyl)pyrimidin-4-amine dihydrochloride
• IUPAC传统名: N,6-dimethyl-2-(piperidin-4-ylmethyl)pyrimidin-4-amine dihydrochloride
• 别名: Methyl-(6-methyl-2-piperidin-4-ylmethyl-pyrimidin-4-yl)-amine dihydrochloride

登记号

• MDL号: MFCD21606208
• PubChem SID: 162028704
• PubChem CID: 71298930

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -3.5777009
• LogD (pH = 7.4): -1.787206
• Log P: 1.1461765
• 摩尔折射率: 67.4522 cm^3
• 极化性: 25.048063 Å^3
• 极化表面积: 49.84 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false