1-methyl-4-{[4-(tributylstannyl)phenyl]methyl}piperazine

• ChemBase编号: 89608
• 分子式: C24H44N2Sn
• 平均质量: 479.32056
• 单一同位素质量: 480.25264342
• SMILES: [Sn](c1ccc(cc1)CN1CCN(CC1)C)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)CN1CCN(CC1)C)(CCCC)CCCC
• InChI: InChI=1S/C12H17N2.3C4H9.Sn/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;3*1-3-4-2;/h3-6H,7-11H2,1H3;3*1,3-4H2,2H3
• InChIKey: CVGAJHSCEFONIN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-4-{[4-(tributylstannyl)phenyl]methyl}piperazine
• IUPAC传统名: 1-methyl-4-{[4-(tributylstannyl)phenyl]methyl}piperazine
• 别名: 1-[(4-Methylpiperazin-1-yl)methyl]-4-(tributylstannyl)benzene, {4-[(4-Methylpiperazin-1-yl)methyl]phenyl}tributylstannane; 1-Methyl-4-[4-(tributylstannyl)benzyl]piperazine

登记号

• PubChem SID: 162104703
• PubChem CID: 71300061

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.1900437
• LogD (pH = 7.4): 3.992619
• Log P: 4.8191
• 摩尔折射率: 118.4828 cm^3
• 极化性: 51.072353 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Toxic