N'-[(tert-butoxy)carbonyl]-N-(pyrimidin-5-yl)(tert-butoxy)carbohydrazide

• ChemBase编号: 310201
• 分子式: C14H22N4O4
• 平均质量: 310.34888
• 单一同位素质量: 310.1641052
• SMILES: C(=O)(N(NC(=O)OC(C)(C)C)c1cncnc1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NN(C(=O)OC(C)(C)C)c1cncnc1
• InChI: InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)17-18(10-7-15-9-16-8-10)12(20)22-14(4,5)6/h7-9H,1-6H3,(H,17,19)
• InChIKey: DXJVUWWLMCSKTA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N'-[(tert-butoxy)carbonyl]-N-(pyrimidin-5-yl)(tert-butoxy)carbohydrazide
• IUPAC传统名: N'-(tert-butoxycarbonyl)-N-(pyrimidin-5-yl)tert-butoxycarbohydrazide
• 别名: di-tert-butyl 1-(5-pyrimidinyl)-1,2-hydrazinedicarboxylate

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.6848845
• LogD (pH = 7.4): 1.6848807
• Log P: 1.684888
• 摩尔折射率: 79.5288 cm^3
• 极化性: 30.832722 Å^3
• 极化表面积: 93.65 Å^2