N,N-dimethyl-6-(piperidin-4-ylmethyl)pyridazin-3-amine dihydrochloride

• ChemBase编号: 63046
• 分子式: C12H22Cl2N4
• 平均质量: 293.23588
• 单一同位素质量: 292.12215208
• SMILES: n1c(N(C)C)ccc(n1)CC1CCNCC1.Cl.Cl
• Canonical SMILES: CN(c1ccc(nn1)CC1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C12H20N4.2ClH/c1-16(2)12-4-3-11(14-15-12)9-10-5-7-13-8-6-10;;/h3-4,10,13H,5-9H2,1-2H3;2*1H
• InChIKey: UOQUAAZIKLNXNK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-6-(piperidin-4-ylmethyl)pyridazin-3-amine dihydrochloride
• IUPAC传统名: N,N-dimethyl-6-(piperidin-4-ylmethyl)pyridazin-3-amine dihydrochloride
• 别名: Dimethyl-(6-piperidin-4-ylmethyl-pyridazin-3-yl)-amine dihydrochloride

登记号

• MDL号: MFCD21606269
• PubChem SID: 162028785
• PubChem CID: 71298994

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.3550134
• LogD (pH = 7.4): -1.8730791
• Log P: 0.90185434
• 摩尔折射率: 68.1047 cm^3
• 极化性: 25.134556 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