tert-butyl N-[(hydrazinecarbonyl)methyl]-N-methylcarbamate

• ChemBase编号: 309865
• 分子式: C8H17N3O3
• 平均质量: 203.23888
• 单一同位素质量: 203.12699142
• SMILES: C(=O)(N(CC(=O)NN)C)OC(C)(C)C
• Canonical SMILES: NNC(=O)CN(C(=O)OC(C)(C)C)C
• InChI: InChI=1S/C8H17N3O3/c1-8(2,3)14-7(13)11(4)5-6(12)10-9/h5,9H2,1-4H3,(H,10,12)
• InChIKey: VQWBYKYBNLFIPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl N-[(hydrazinecarbonyl)methyl]-N-methylcarbamate
• IUPAC传统名: tert-butyl N-[(hydrazinecarbonyl)methyl]-N-methylcarbamate
• 别名: tert-butyl (2-hydrazino-2-oxoethyl)methylcarbamate

登记号

• CAS号: 633328-19-5
• MDL号: MFCD18074293

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.5360685
• LogD (pH = 7.4): -0.5351344
• Log P: -0.5351204
• 摩尔折射率: 52.0794 cm^3
• 极化性: 20.081818 Å^3
• 极化表面积: 84.66 Å^2