6-氨基己酸7-甲基辛基酯 | 72066-93-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 6-氨基己酸7-甲基辛基酯
• 英文名称: Isononyl 6-aminohexanoate
• 英文别名: 7-methyloctyl 6-aminohexanoate
• CAS: 72066-93-4
• 化学式: C₁₅H₃₁NO₂
• 分子量: 257.417
• InChiKey: YTBVJJCLLLCHCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-氨基己酸7-甲基辛基酯 、 二氧化碳 以 乙醚 为溶剂， 反应 0.33h， 生成 5-(7-methyloctyloxycarbonyl)pentylammonium 5-(7-methyloctyloxycarbonyl)pentylcarbamate
  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

文献信息

• Transkarbams with terminal branching as transdermal permeation enhancers
  作者：Jana Klimentová、Petr Kosák、Kateřina Vávrová、Tomáš Holas、Jakub Novotný、Alexandr Hrabálek

  DOI：10.1016/j.bmcl.2008.01.040

  日期：2008.3

  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.