1-N'',1-N'',1-N',1-N',1-N,1-N-hexaethylphosphanetricarboxamide

• ChemBase编号: 80158
• 分子式: C15H30N3O3P
• 平均质量: 331.390761
• 单一同位素质量: 331.20247847
• SMILES: P(C(=O)N(CC)CC)(C(=O)N(CC)CC)C(=O)N(CC)CC
• Canonical SMILES: CCN(C(=O)P(C(=O)N(CC)CC)C(=O)N(CC)CC)CC
• InChI: InChI=1S/C15H30N3O3P/c1-7-16(8-2)13(19)22(14(20)17(9-3)10-4)15(21)18(11-5)12-6/h7-12H2,1-6H3
• InChIKey: JNDPTHRENWPPDI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-N'',1-N'',1-N',1-N',1-N,1-N-hexaethylphosphanetricarboxamide
• IUPAC传统名: 1-N'',1-N'',1-N',1-N',1-N,1-N-hexaethylphosphanetricarboxamide
• 别名: N,N,N,N,N,N-hexaethylphosphinetricarboxamide

登记号

• MDL号: MFCD00829223
• PubChem SID: 162067278
• PubChem CID: 2775870

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.0674999
• LogD (pH = 7.4): 2.0675
• Log P: 2.0675
• 摩尔折射率: 95.0097 cm^3
• 极化性: 34.74248 Å^3
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true