| 1220219-93-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1220219-93-1
• 化学式: C₁₀H₁₂N₃*C₂₃H₃₈O₄*Cl
• 分子量: 588.231
• InChiKey: DCJOGOXTXRFYBN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  41.0
• 可旋转键数：
  19.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  77.46
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3-methyl-1-(pyridin-4-ylmethyl)-1H-imidazol-3-ium chloride 、 3,4-dioctyloxybenzoic acid 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Hydrogen-bonded ionic liquid crystals: pyridinylmethylimidazolium as a versatile building block

  摘要：

  Utilizing hydrogen bonding between pyridine and benzoic acids, hydrogen-bonded ionic liquid crystals were prepared from pyridinylmethylimidazolium and alkoxy-substituted benzoic acids. Depending on the number of alkoxy substituents, smectic C (SmC), rectangular columnar (Col(r)), and cubic (Cub) phases were obtained from mono-, di-, and tri-substituted benzoic acids, respectively. These phases were investigated with X-ray diffraction, differential scanning calorimeter, and polarized optical microscopy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.01.045