| 132335-91-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• CAS: 132335-91-2
• 化学式: C₁₃H₂₆N₃O
• 分子量: 240.369
• InChiKey: PYIFGOZTQHFCGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.26
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.41
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  四硝基甲烷 、 以 水 为溶剂， 生成
  参考文献：
  名称：

  Effect of the chemical structure of nitroxyl radicals on their reactivity in the reaction with hydrazobenzene and tetranitromethane

  摘要：

  The reaction rate constants of reduction of stable radicals of different classes by hydrazobenzene in hexane at approximately 20-degrees-C, in the range of 0.4-5.10(3) M-1.sec-1, were determined; a single scale of the oxidative properties of stable nitroxyl radicals was constructed. The rate constants of oxidation of a series of nitroxyl radicals by tetranitromethane in aqueous medium at approximately 20-degrees-C, in the range of 0.06-10 M-1.sec-1, were determined. It was shown that the oxidative properties of the nitroxyl group decrease slightly with an increase in its reducing properties for nitroxyl radicals of the piperidine and imidazoline series in reactions with ascorbic acid and tetranitromethane in aqueous medium, respectively.

  DOI：

  10.1007/bf00958847