| 134735-78-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• CAS: 134735-78-7
• 化学式: C₂₄H₃₄NO
• 分子量: 352.54
• InChiKey: USFNULRIVJRTPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.66
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.14
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  亚硝基叔丁烷 、 (E)-1,2-bis(4-isopropylphenyl)ethene 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Photochemistry of stilbene-amine. Spin-trapping study

  摘要：

  2-Methyl-2-nitrosopropane (MNP) was used as a spin-trap reagent to study the radicals formed in the photochemical reaction of substituted trans-stilbenes (TS) with tertiary amines. Seven 1,2-(p,p'-disubstitited phenyl)ethyl radicals were trapped by MNP and isolated and identified by HPLC-EPR. The nitrogen hyperfine splitting constants (hfsc) of these radicals are linearly correlated with the Hammett substituent constants sigma-P. There is also a linear correlation of the nitrogen hfsc with both the single sigma-P parameter and the dual sigma-R', sigma-I parameters. The inductive and resonance effects are of equal importance. The correlation between proton hfsc and a single sigma-P parameter is not linear. There is fair correlation between the beta-proton hfsc and the dual parameters sigma-R', sigma-I. The only fair correlation may be due to the large dihedral angle between the nitrogen pi orbital and the N-C-H plane.

  DOI：

  10.1021/jo00017a009