undecyl 7-aminoheptanoate hydrochloride

• 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: undecyl 7-aminoheptanoate hydrochloride
• 英文别名: Undecyl 7-aminoheptanoate;hydrochloride
• 化学式: C₁₈H₃₇NO₂*ClH
• 分子量: 335.958
• InChiKey: JIGJADHBLBAXEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.39
• 重原子数：
  22
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  undecyl 7-aminoheptanoate hydrochloride 在 三乙胺 作用下， 以 乙醚 、 水 为溶剂， 反应 0.25h， 生成 undecyl 7-aminoheptanoate
  参考文献：
  名称：

  Transkarbams as transdermal permeation enhancers: Effects of ester position and ammonium carbamate formation

  摘要：

  Transkarbam 12, an ammonium carbamate formed by the reaction of dodecyl 6-aminohexanoate with carbon dioxide, is a highly active, broad-spectrum, nontoxic, and nonirritant transdermal permeation enhancer. It probably acts by a dual mechanism: a part of its activity is associated with the carbamic acid salt and/or its decomposition in the acidic stratum corneum. The ammonium ester thereby released is an active enhancer species as well, and its activity highly depends on the position of the ester group. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.077
• 作为产物：
  描述：

  十一烷醇 、 7-aminoheptanoic acid chloride hydrochloride 以 氯仿 为溶剂， 反应 2.0h， 生成 undecyl 7-aminoheptanoate hydrochloride
  参考文献：
  名称：

  Transkarbams as transdermal permeation enhancers: Effects of ester position and ammonium carbamate formation

  摘要：

  Transkarbam 12, an ammonium carbamate formed by the reaction of dodecyl 6-aminohexanoate with carbon dioxide, is a highly active, broad-spectrum, nontoxic, and nonirritant transdermal permeation enhancer. It probably acts by a dual mechanism: a part of its activity is associated with the carbamic acid salt and/or its decomposition in the acidic stratum corneum. The ammonium ester thereby released is an active enhancer species as well, and its activity highly depends on the position of the ester group. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.077

文献信息

• Transkarbams as transdermal permeation enhancers: Effects of ester position and ammonium carbamate formation
  作者：Michal Novotný、Alexandr Hrabálek、Barbora Janůšová、Jakub Novotný、Kateřina Vávrová

  DOI：10.1016/j.bmcl.2010.03.077

  日期：2010.5

  Transkarbam 12, an ammonium carbamate formed by the reaction of dodecyl 6-aminohexanoate with carbon dioxide, is a highly active, broad-spectrum, nontoxic, and nonirritant transdermal permeation enhancer. It probably acts by a dual mechanism: a part of its activity is associated with the carbamic acid salt and/or its decomposition in the acidic stratum corneum. The ammonium ester thereby released is an active enhancer species as well, and its activity highly depends on the position of the ester group. (C) 2010 Elsevier Ltd. All rights reserved.