N-(3-椰油酰胺基丙基)-N,N-二甲基-N-(3-磺基丙基)铵甜菜碱 | 52562-28-4

• 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: N-(3-椰油酰胺基丙基)-N,N-二甲基-N-(3-磺基丙基)铵甜菜碱
• 英文名称: Dimethyl(3-((1-oxododecyl)amino)propyl)(3-sulphopropyl)ammonium hydroxide
• 英文别名: 3-[3-(dodecanoylamino)propyl-dimethylazaniumyl]propane-1-sulfonate
• CAS: 52562-28-4
• 化学式: C₂₀H₄₂N₂O₄S
• 分子量: 406.63
• InChiKey: VQFWSIABHIHJBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  94.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-丙烷磺内酯 、 N-[3-(二甲氨基)丙基]月桂酰胺 以 乙酸乙酯 为溶剂， 生成 N-(3-椰油酰胺基丙基)-N,N-二甲基-N-(3-磺基丙基)铵甜菜碱
  参考文献：
  名称：

  Empirical Correlations between Krafft Temperature and Tail Length for Amidosulfobetaine Surfactants in the Presence of Inorganic Salt

  摘要：

  Long-chain amidosulfobetaine surfactants, 3-(N-fattyamidopropyl-N,N-dimethyl ammonium) propanesulfonates (n-DAS, n > 18), are insoluble in pure water due to their high Krafft temperature (T(K)), while they are soluble when inorganic salt is added to the surfactant solution as the T(K) of these zwitterionic surfactants is decreased. The influence of the salt content and ionic species of the added electrolytes on the T(K) of the series of amidosulfobetaine surfactants was examined by means of UV-vis spectrophometry and visual inspection. It was found that the T(K) of these surfactants depends strongly on not only the hydrophobic alkyl length (n), but also the salinity of the aqueous environment. When the salt concentration is increased from 0 to 100 mM, the T(K) shows a sharp decrease; when the salinity is fixed between 100 and 2000 mM, the T(K) varies linearly with n with a slope of similar to 7.7 irrespective of the salt species and the salt content. When the salt concentration is further increased above 2000 mM, a linear function is still observed, but the slope increases slightly.

  DOI：

  10.1021/la204316g

文献信息

• METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA
  申请人：Integrated Research Technology, LLC

  公开号：EP0756633B1

  公开（公告）日：2005-06-08
• PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS
  申请人：GRI Bio, Inc.

  公开号：EP3229811B1

  公开（公告）日：2021-02-24
• Empirical Correlations between Krafft Temperature and Tail Length for Amidosulfobetaine Surfactants in the Presence of Inorganic Salt
  作者：Zonglin Chu、Yujun Feng

  DOI：10.1021/la204316g

  日期：2012.1.17

  Long-chain amidosulfobetaine surfactants, 3-(N-fattyamidopropyl-N,N-dimethyl ammonium) propanesulfonates (n-DAS, n > 18), are insoluble in pure water due to their high Krafft temperature (T(K)), while they are soluble when inorganic salt is added to the surfactant solution as the T(K) of these zwitterionic surfactants is decreased. The influence of the salt content and ionic species of the added electrolytes on the T(K) of the series of amidosulfobetaine surfactants was examined by means of UV-vis spectrophometry and visual inspection. It was found that the T(K) of these surfactants depends strongly on not only the hydrophobic alkyl length (n), but also the salinity of the aqueous environment. When the salt concentration is increased from 0 to 100 mM, the T(K) shows a sharp decrease; when the salinity is fixed between 100 and 2000 mM, the T(K) varies linearly with n with a slope of similar to 7.7 irrespective of the salt species and the salt content. When the salt concentration is further increased above 2000 mM, a linear function is still observed, but the slope increases slightly.