(Z)-N'-hydroxy-2-(naphthalen-2-yloxy)ethenimidamide

• ChemBase编号: 124489
• 分子式: C12H12N2O2
• 平均质量: 216.23588
• 单一同位素质量: 216.08987763
• SMILES: C(=N\O)(/COc1cc2c(cc1)cccc2)\N
• Canonical SMILES: O/N=C(/COc1ccc2c(c1)cccc2)\N
• InChI: InChI=1S/C12H12N2O2/c13-12(14-15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H2,13,14)
• InChIKey: WKSSGLYFMZVCIQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N'-hydroxy-2-(naphthalen-2-yloxy)ethenimidamide
• IUPAC传统名: (Z)-N'-hydroxy-2-(naphthalen-2-yloxy)ethenimidamide
• 别名: (Z)-N'-hydroxy-2-(naphthalen-2-yloxy)acetimidamide

登记号

• PubChem SID: 162218842
• PubChem CID: 9652845

理论计算性质

• Acid pKa: 9.585925
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.5418086
• LogD (pH = 7.4): 1.5399054
• Log P: 1.5427384
• 摩尔折射率: 60.822 cm^3
• 极化性: 24.75333 Å^3
• 极化表面积: 67.84 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true