(Z)-N'-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethenimidamide

• ChemBase编号: 256779
• 分子式: C5H8N4O2
• 平均质量: 156.14262
• 单一同位素质量: 156.06472552
• SMILES: n1c(noc1C)C/C(=N/O)/N
• Canonical SMILES: O/N=C(/Cc1noc(n1)C)\N
• InChI: InChI=1S/C5H8N4O2/c1-3-7-5(9-11-3)2-4(6)8-10/h10H,2H2,1H3,(H2,6,8)
• InChIKey: MFSSENJFFKZDGE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N'-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethenimidamide
• IUPAC传统名: (Z)-N'-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethenimidamide
• 别名: N'-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanimidamide

登记号

• MDL号: MFCD09040666
• PubChem SID: 164312689
• PubChem CID: 16228727

理论计算性质

• Acid pKa: 9.49109
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -0.35289678
• LogD (pH = 7.4): -0.34447816
• Log P: -0.34063724
• 摩尔折射率: 37.8493 cm^3
• 极化性: 13.61487 Å^3
• 极化表面积: 97.53 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 142 - 144°C
• 疏水性(logP): -1.176

产品相关信息

• 纯度: 95%