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

• ChemBase编号: 246595
• 分子式: C11H16Cl2N2
• 平均质量: 247.16414
• 单一同位素质量: 246.06905388
• SMILES: C1(=CCNCC1)c1c(ccnc1)C.Cl.Cl
• Canonical SMILES: Cc1ccncc1C1=CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H14N2.2ClH/c1-9-2-5-13-8-11(9)10-3-6-12-7-4-10;;/h2-3,5,8,12H,4,6-7H2,1H3;2*1H
• InChIKey: FTXBSBOYFXQMNQ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164302505
• PubChem CID: 71758030

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.1916544
• LogD (pH = 7.4): -0.85838306
• Log P: 1.263121
• 摩尔折射率: 55.0593 cm^3
• 极化性: 21.059952 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

• 熔点: 254 - 256°C
• 疏水性(logP): 1.241

产品相关信息

• 纯度: 95%