3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride

• ChemBase编号: 246476
• 分子式: C11H16Cl2N2
• 平均质量: 247.16414
• 单一同位素质量: 246.06905388
• SMILES: C1(=CCNCC1)c1c(cncc1)C.Cl.Cl
• Canonical SMILES: Cc1cnccc1C1=CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H14N2.2ClH/c1-9-8-13-7-4-11(9)10-2-5-12-6-3-10;;/h2,4,7-8,12H,3,5-6H2,1H3;2*1H
• InChIKey: UZQLZJFHPJKMCK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride
• IUPAC传统名: 3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride
• 别名: 3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride

登记号

• PubChem SID: 164302386
• PubChem CID: 71758005

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.2565413
• LogD (pH = 7.4): -0.88258874
• Log P: 1.263121
• 摩尔折射率: 55.0593 cm^3
• 极化性: 21.060228 Å^3
• 极化表面积: 24.92 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): 1.241

产品相关信息

• 纯度: 95%