1,4-di-tert-butyl 2-methylpiperazine-1,4-dicarboxylate

• ChemBase编号: 269551
• 分子式: C15H28N2O4
• 平均质量: 300.39382
• 单一同位素质量: 300.20490739
• SMILES: C(=O)(N1C(CN(C(=O)OC(C)(C)C)CC1)C)OC(C)(C)C
• Canonical SMILES: O=C(N1CCN(C(C1)C)C(=O)OC(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C15H28N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h11H,8-10H2,1-7H3
• InChIKey: IMKNVNIIMKCRIO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,4-di-tert-butyl 2-methylpiperazine-1,4-dicarboxylate
• IUPAC传统名: 1,4-di-tert-butyl 2-methylpiperazine-1,4-dicarboxylate
• 别名: 1,4-di-tert-butyl 2-methylpiperazine-1,4-dicarboxylate

登记号

• MDL号: MFCD16990659
• PubChem SID: 164325461
• PubChem CID: 23078619

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.2541542
• LogD (pH = 7.4): 2.2541542
• Log P: 2.2541542
• 摩尔折射率: 79.8578 cm^3
• 极化性: 31.472929 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 4.071

产品相关信息

• 纯度: 95%