(Z)-N-{1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene}hydroxylamine

• ChemBase编号: 265627
• 分子式: C14H14N2O2
• 平均质量: 242.27316
• 单一同位素质量: 242.1055277
• SMILES: C(=N\O)(\c1ccc(OCc2cnccc2)cc1)/C
• Canonical SMILES: O/N=C(\c1ccc(cc1)OCc1cccnc1)/C
• InChI: InChI=1S/C14H14N2O2/c1-11(16-17)13-4-6-14(7-5-13)18-10-12-3-2-8-15-9-12/h2-9,17H,10H2,1H3/b16-11-
• InChIKey: QPEKYMOYDZAFJD-WJDWOHSUSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N-{1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene}hydroxylamine
• IUPAC传统名: (Z)-N-{1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene}hydroxylamine
• 别名: (Z)-N-{1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene}hydroxylamine

登记号

• MDL号: MFCD09949618
• PubChem SID: 164321537
• PubChem CID: 28213769

理论计算性质

• Acid pKa: 8.672787
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.8291718
• LogD (pH = 7.4): 1.8661008
• Log P: 1.8895025
• 摩尔折射率: 69.2014 cm^3
• 极化性: 26.621878 Å^3
• 极化表面积: 54.71 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.581

产品相关信息

• 纯度: 95%