N,N,N-triethyl-N-(2-methoxyethyl)ammonium iodide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N,N-triethyl-N-(2-methoxyethyl)ammonium iodide
• 英文别名: (2-Methoxyethyl)triethylammonium iodide；triethyl(2-methoxyethyl)azanium;iodide
• 化学式: C₉H₂₂NO*I
• 分子量: 287.184
• InChiKey: PUVILTFVZILCDU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.49
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二乙氨基乙醇 在 sodium hydroxide 、 sodium 作用下， 以 二乙二醇二甲醚 、 水 为溶剂， 反应 5.25h， 生成 N,N,N-triethyl-N-(2-methoxyethyl)ammonium iodide
  参考文献：
  名称：

  The Importance of Molecular Parameters of Quaternary Ammonium Salts in Their Antigibberellin (Retardant) Activity

  摘要：

  The importance of six theoretically calculated molecular parameters in the antigibberellin (retardant) activity of quaternary ammonium salts is studied using a regression analysis. A bioassay system based on cell culture of fungus Gibberella fujikuroi is used to determine the activity. In the case of N,N,N-trimethyl-N(2-hydroxyethyl)ammonium chloride (choline) and N,N,N-triethyl-N-(2-hydroxyethyl)ammonium chloride (N,N,N-triethylcholine) derivatives with linear structure, the polarizability, proton acceptor activity, and lipophilicity of these compounds exert the largest effect on the antigibberellin activity. The antigibberellin activity of more sterically hindered N,N-dialkylpiperidinium salts was mainly defined by the steric parameter, while the polarizability, proton acceptor activity, and (through them) lipophilicity exert a lesser effect. Other parameters are of minor importance for the three groups of compounds studied.

  DOI：

  10.1023/b:rubi.0000049778.67576.cc

文献信息

• The Importance of Molecular Parameters of Quaternary Ammonium Salts in Their Antigibberellin (Retardant) Activity
  作者：R. G. Gafurov、V. Yu. Grigor'ev、A. N. Proshin、V. G. Chistyakov、I. V. Martynov、N. S. Zefirov

  DOI：10.1023/b:rubi.0000049778.67576.cc

  日期：2004.11

  The importance of six theoretically calculated molecular parameters in the antigibberellin (retardant) activity of quaternary ammonium salts is studied using a regression analysis. A bioassay system based on cell culture of fungus Gibberella fujikuroi is used to determine the activity. In the case of N,N,N-trimethyl-N(2-hydroxyethyl)ammonium chloride (choline) and N,N,N-triethyl-N-(2-hydroxyethyl)ammonium chloride (N,N,N-triethylcholine) derivatives with linear structure, the polarizability, proton acceptor activity, and lipophilicity of these compounds exert the largest effect on the antigibberellin activity. The antigibberellin activity of more sterically hindered N,N-dialkylpiperidinium salts was mainly defined by the steric parameter, while the polarizability, proton acceptor activity, and (through them) lipophilicity exert a lesser effect. Other parameters are of minor importance for the three groups of compounds studied.