(2H3)methoxycarbohydrazide

• ChemBase编号: 163659
• 分子式: C2H6N2O2
• 平均质量: 90.08124
• 单一同位素质量: 90.04292744
• SMILES: C(=O)(NN)OC
• Canonical SMILES: COC(=O)NN
• InChI: InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
• InChIKey: WFJRIDQGVSJLLH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₃)methoxycarbohydrazide
• IUPAC传统名: (^2H₃)methoxycarbohydrazide
• 别名: (Methoxycarbonyl)hydrazide-d3; (Methoxycarbonyl)hydrazine-d3; Carbomethoxyhydrazide-d3; Carbomethoxyhydrazine-d3; Methyl Carbazate-d3; Methyl Carbazinate-d3; Methyl Hydrazinecarboxylate-d3; Methyl Hydrazinocarboxylate-d3; Methyl Hydrazinoformate-d3; NSC 11709-d3; Carbomethoxyhydrazide-d3

登记号

• PubChem SID: 162257794
• PubChem CID: 71314512

理论计算性质

• Acid pKa: 12.785743
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.70817196
• LogD (pH = 7.4): -0.7074833
• Log P: -0.70747286
• 摩尔折射率: 20.5736 cm^3
• 极化性: 7.860245 Å^3
• 极化表面积: 64.35 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Ethanol; Ethyl Acetate; Methanol
• 外观: White Solid

详细说明

Toronto Research Chemicals - C176617

Hydrazine derivative.