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

• ChemBase编号: 89604
• 分子式: C23H42N2Sn
• 平均质量: 465.29398
• 单一同位素质量: 466.23699335
• SMILES: [Sn](c1ccc(cc1)N1CCN(CC1)C)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)N1CCN(CC1)C)(CCCC)CCCC
• InChI: InChI=1S/C11H15N2.3C4H9.Sn/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;3*1-3-4-2;/h3-6H,7-10H2,1H3;3*1,3-4H2,2H3
• InChIKey: CQCNLWRKXQBKNU-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 162104701
• PubChem CID: 71300059

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.7383418
• LogD (pH = 7.4): 4.518631
• Log P: 5.1966
• 摩尔折射率: 114.3687 cm^3
• 极化性: 48.854652 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Toxic