5-(7-methyloctyloxycarbonyl)pentylammonium chloride | 1019642-14-8

• 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: 5-(7-methyloctyloxycarbonyl)pentylammonium chloride
• CAS: 1019642-14-8
• 化学式: C₁₅H₃₁NO₂*ClH
• 分子量: 293.878
• InChiKey: IEVGFAUODBNMKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.08
• 重原子数：
  19.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  52.32
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  异壬醇 、 6-氨基己酰氯 以 氯仿 为溶剂， 反应 1.5h， 以65%的产率得到5-(7-methyloctyloxycarbonyl)pentylammonium chloride
  参考文献：
  名称：

  Transkarbams with terminal branching as transdermal permeation enhancers

  摘要：

  Transkarbams (T) represent novel group of highly active, non-toxic transdermal permeation enhancers. This study was focused on the influence of small symmetrical terminal branching on their enhancing activity. Series of T with terminal methyl or ethyl branching was prepared and their permeation-enhancing activity was compared to that of their linear analogues. The results showed completely a different behaviour from similarly branched alcohols, supporting the key role of the ammonium-carbamate polar head in the enhancing activity of T. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.040