6-N,N,N-trimethylammonium-n-hexanate | 6798-47-6

• 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: 6-N,N,N-trimethylammonium-n-hexanate
• 英文别名: 6-trimethylammoniohexanoate；(5-carboxy-pentyl)-trimethyl-ammonium betaine；(5-Carboxy-pentyl)-trimethyl-ammonium-betain；6-Trimethylammonio-capronsaeure-betain；ε-Trimethyl-caprobetain；6-trimethylammonio caproic acid；6-(Trimethylazaniumyl)hexanoate
• CAS: 6798-47-6
• 化学式: C₉H₁₉NO₂
• 分子量: 173.255
• InChiKey: BGKJBMGXIZZWFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-N,N,N-trimethylammonium-n-hexanate 生成 methyl 5-(dimethylamino)pentanoate
  参考文献：
  名称：

  Prelog, Collection of Czechoslovak Chemical Communications, 1930, vol. 2, p. 715

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 6-(dimethylamino)hexanoate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 13.0h， 生成 6-N,N,N-trimethylammonium-n-hexanate
  参考文献：
  名称：

  6-(Alkyldimethylammonio)-hexanoates

  摘要：

  DOI：

  10.1055/s-1984-30862

文献信息

• Polyphosphonate derivatives for toothpaste compositions
  申请人：Denizot Benoit

  公开号：US20050153938A1

  公开（公告）日：2005-07-14

  The invention relates to a medicament containing the polyphosphonate compound of general formula (I) as an active ingredient.

  本发明涉及一种药物，其活性成分是通式（I）的聚膦酸盐化合物。
• Structural effect of synthetic zwitterionic cosolutes on the stability of DNA duplexes
  作者：Kazuya Koumoto、Hirofumi Ochiai、Naoki Sugimoto

  DOI：10.1016/j.tet.2007.10.060

  日期：2008.1

  The molecular design of useful cosolutes for polymerase chain reaction (PCR), which is one of the most important techniques in molecular biology, plays a significant role in amplification of highly stable genome sequences because during PCR, strand dissociation sometimes fails due to high melting temperature. Here, we designed and synthesized eight new zwitterionic cosolutes derived from glycine betaine, a destabilizing reagent for GC-rich DNA duplexes, and systematically compared their ability to destabilize DNA duplexes and to amplify genome DNA by PCR. We found that introduction of n-butyl groups rather than methyl groups into the ammonium group reduced the melting temperature of DNA duplexes 11-fold more than what was observed for the scaffold cosolute, glycine betaine, and furthermore, the cosolute can amplify the stable genome sequence by PCR. (c) 2007 Elsevier Ltd. All rights reserved.
• Olomucki,M., Bulletin de la Societe Chimique de France, 1963, p. 2067 - 2074
  作者：Olomucki,M.

  DOI：——

  日期：——
• Intercharge distance of flexible zwitterionic molecules in solution
  作者：Yves. Chevalier、Pierre. Le Perchec

  DOI：10.1021/j100368a013

  日期：1990.3
• MCGRADY, J.;LAUGHLIN, R. G., SYNTHESIS, BRD, 1984, N 5, 426-428
  作者：MCGRADY, J.、LAUGHLIN, R. G.

  DOI：——

  日期：——