(Z)-2-(dimethylamino)-N'-hydroxyethenimidamide

• ChemBase编号: 308762
• 分子式: C4H11N3O
• 平均质量: 117.14964
• 单一同位素质量: 117.09021199
• SMILES: C(=N\O)(/CN(C)C)\N
• Canonical SMILES: O/N=C(/CN(C)C)\N
• InChI: InChI=1S/C4H11N3O/c1-7(2)3-4(5)6-8/h8H,3H2,1-2H3,(H2,5,6)
• InChIKey: XTDHXKQOPRQCKF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-2-(dimethylamino)-N'-hydroxyethenimidamide
• IUPAC传统名: (Z)-2-(dimethylamino)-N'-hydroxyethenimidamide
• 别名: (1Z)-2-(dimethylamino)-N'-hydroxyethanimidamide

登记号

• CAS号: 67015-08-1
• MDL号: MFCD09842228

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.6172628
• LogD (pH = 7.4): -1.2281488
• Log P: -1.0721434
• 摩尔折射率: 31.8387 cm^3
• 极化性: 12.199303 Å^3
• 极化表面积: 61.85 Å^2