(Z)-N-[cyclohexyl(pyridin-2-yl)methylidene]hydroxylamine

• ChemBase编号: 120476
• 分子式: C12H16N2O
• 平均质量: 204.26824
• 单一同位素质量: 204.12626314
• SMILES: C(=N\O)(\c1ncccc1)/C1CCCCC1
• Canonical SMILES: O/N=C(\c1ccccn1)/C1CCCCC1
• InChI: InChI=1S/C12H16N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h4-5,8-10,15H,1-3,6-7H2/b14-12-
• InChIKey: MWPZTYVDZIZIPV-OWBHPGMISA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N-[cyclohexyl(pyridin-2-yl)methylidene]hydroxylamine
• IUPAC传统名: (Z)-N-[cyclohexyl(pyridin-2-yl)methylidene]hydroxylamine
• 别名: (Z)-cyclohexyl(pyridin-2-yl)methanone oxime

登记号

• PubChem SID: 162214829
• PubChem CID: 5395729

理论计算性质

• Acid pKa: 9.079878
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.8197758
• LogD (pH = 7.4): 2.8114045
• Log P: 2.8220532
• 摩尔折射率: 58.9558 cm^3
• 极化性: 23.00046 Å^3
• 极化表面积: 45.48 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true