Tetraisoamylammonium propionate | 133828-32-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Tetraisoamylammonium propionate
• 英文别名: propanoate;tetrakis(3-methylbutyl)azanium
• CAS: 133828-32-7
• 化学式: C₃H₅O₂*C₂₀H₄₄N
• 分子量: 371.648
• InChiKey: WWQDMTWSRYEWGI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  Tetraisoamylammonium hydroxide 、 丙酸 生成 Tetraisoamylammonium propionate
  参考文献：
  名称：

  Clathrate formation in the tetraisoamylammonium propionate-water system

  摘要：

  In this paper we examine clathrate formation in the tetraisoamylammonium propionate-water binary system. We have found formation of four polyhydrates, two of which are metastable over the whole temperature range studied. All polyhydrate crystals were isolated and their compositions and densities determined; for (i-C5H11)(4)NC2H5COO.36.5H(2)O, unit cell parameters were additionally found. The results are compared with data for tetra-n-butylammonium carboxylate polyhydrates, and the structure of the title compounds is suggested it is confirmed that the isoamyl radical stabilizes the tetradecahedral void of the clathrate hydrate framework better than the n-butyl radical.

  DOI：

  10.1007/bf02578285