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

• ChemBase编号: 62959
• 分子式: C13H24Cl2N4
• 平均质量: 307.26246
• 单一同位素质量: 306.13780215
• SMILES: n1c(cc(nc1CC1CCNCC1)C)N(C)C.Cl.Cl
• Canonical SMILES: Cc1nc(CC2CCNCC2)nc(c1)N(C)C.Cl.Cl
• InChI: InChI=1S/C13H22N4.2ClH/c1-10-8-13(17(2)3)16-12(15-10)9-11-4-6-14-7-5-11;;/h8,11,14H,4-7,9H2,1-3H3;2*1H
• InChIKey: DJNAAKKQXKWJNE-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD21606205
• PubChem SID: 162028698
• PubChem CID: 71298927

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.858592
• LogD (pH = 7.4): -1.1220772
• Log P: 1.7919679
• 摩尔折射率: 71.687 cm^3
• 极化性: 26.890472 Å^3
• 极化表面积: 41.05 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