(Z)-N'-hydroxy-1-methyl-1H-pyrrole-2-carboximidamide

• ChemBase编号: 309587
• 分子式: C6H9N3O
• 平均质量: 139.15516
• 单一同位素质量: 139.07456192
• SMILES: c1(/C(=N/O)/N)n(ccc1)C
• Canonical SMILES: O/N=C(/c1cccn1C)\N
• InChI: InChI=1S/C6H9N3O/c1-9-4-2-3-5(9)6(7)8-10/h2-4,10H,1H3,(H2,7,8)
• InChIKey: LSOIQVCHWAYWHE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N'-hydroxy-1-methyl-1H-pyrrole-2-carboximidamide
• IUPAC传统名: (Z)-N'-hydroxy-1-methylpyrrole-2-carboximidamide
• 别名: N'-hydroxy-1-methyl-1H-pyrrole-2-carboximidamide

登记号

• CAS号: 500024-87-3
• MDL号: MFCD18447670

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.42335922
• LogD (pH = 7.4): 0.10079361
• Log P: 0.11409386
• 摩尔折射率: 38.6132 cm^3
• 极化性: 14.198496 Å^3
• 极化表面积: 63.54 Å^2