N'-[(propan-2-yloxy)carbonyl](propan-2-yloxy)carbohydrazide

• ChemBase编号: 162043
• 分子式: C8H16N2O4
• 平均质量: 204.22364
• 单一同位素质量: 204.111007
• SMILES: C(OC(=O)NNC(=O)OC(C)C)(C)C
• Canonical SMILES: CC(OC(=O)NNC(=O)OC(C)C)C
• InChI: InChI=1S/C8H16N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3,(H,9,11)(H,10,12)
• InChIKey: FBZULTVJWVCJQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N'-[(propan-2-yloxy)carbonyl](propan-2-yloxy)carbohydrazide
• IUPAC传统名: N'-(isopropoxycarbonyl)isopropoxycarbohydrazide
• 别名: 1,2-Hydrazinedicarboxylic Acid 1,2-Bis(1-methylethyl) Ester; 1,2-Hydrazinedicarboxylic Acid Bis(1-methylethyl) Ester; Bis(1-methylethyl) hydrazine-1,2-dicarboxylate; Celogen HT 500; Diisopropyl 1,2-Hydrazinedicarboxylate; Diisopropyl Hydrazodicarboxylate; NSC 29147; Bicarbamic Acid Diisopropyl Ester

登记号

• CAS号: 19740-72-8
• PubChem SID: 162256178
• PubChem CID: 88220

理论计算性质

• Acid pKa: 10.906624
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.1656091
• LogD (pH = 7.4): 1.1655015
• Log P: 1.1656106
• 摩尔折射率: 48.9138 cm^3
• 极化性: 19.39728 Å^3
• 极化表面积: 76.66 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true