hexadecyl-bis-(2-hydroxy-ethyl)-methyl-ammonium; chloride | 60687-82-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: hexadecyl-bis-(2-hydroxy-ethyl)-methyl-ammonium; chloride
• 英文别名: Hexadecyl-bis-(2-hydroxy-aethyl)-methyl-ammonium; Chlorid；Hexadecyl-bis(2-hydroxyethyl)-methylazanium;chloride
• CAS: 60687-82-3
• 化学式: C₂₁H₄₆NO₂*Cl
• 分子量: 380.055
• InChiKey: MCJBUDMVNPXBPR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  19
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-甲基-1-十六烷胺 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 144.0h， 生成 hexadecyl-bis-(2-hydroxy-ethyl)-methyl-ammonium; chloride
  参考文献：
  名称：

  A structure–activity study of spermicidal and anti-HIV properties of hydroxylated cationic surfactants

  摘要：

  The syntheses of 2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethylhexadecan-1-aminium chloride [1(16)Cl] and iodide [1(16)I], 2-hydroxy-N,N,N-trimethylhexadecan-1-aminium chloride (6), N-(2-hydroxyethyl)-N,N-dimethylhexadecan-1-aminium chloride (8), N,N-bis(2-hydroxyethyl)-N-methylhexadecan-1-aminium chloride (11), and 2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethyl-4-oxahexadecan-1-aminium chloride (14) are reported along with the critical micelle concentrations (cmcs), as measured by conductivity at 25degreesC, of 1(16)Cl, 1(16)1, 6, 8, 11, and N,N,N-trimethylhexadecan-1-aminium chloride (12). All compounds display spermicidal and virucidal activity. A plot of minimum effective concentration (MEC) in the Sander-Cramer spermicidal assay and cmc shows that 1(16)Cl and 6 have the best spermicidal activity and highest cmcs. Compounds 8, 11, and 1(16)Cl are the most active at 0.05 mg mL(-1) against cell-free and cell-associated virus. In conclusion, 1(16)Cl shows the best combination of dual activity against sperm and HIV; it is a promising candidate for further preclinical studies as a topical, contraceptive microbicide. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00245-6

文献信息

• Reversible phase change composition for storing thermal energy
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0142028A1

  公开（公告）日：1985-05-22

  A reversible liquid/solid phase change composition for storing thermal energy. The composition comprises at least one hydrated inorganic salt selected from a salt or mixture of salts that are subject to segregation of its chemical components during repeated freezing and thawing cycles, and a surface active thickening agent in the form of a cationic surfactant and selected from an amine, salts of the amine, or a quaternary ammonium salt of the amine, wherein the thickening agent is present in the hydrated salt in an amount sufficient to form a micelle structure throughout the hydrated salt to prevent such segregation.

  一种用于储存热能的可逆液/固相变组合物。该组合物包含至少一种水合无机盐，该无机盐选自在反复冷冻和解冻循环过程中化学成分会发生分离的盐或盐的混合物，以及一种阳离子表面活性剂形式的表面活性增稠剂，该表面活性增稠剂选自胺、胺的盐或胺的季铵盐，其中增稠剂在水合盐中的存在量足以在整个水合盐中形成胶束结构以防止这种分离。
• Ralston et al., Journal of the American Chemical Society, 1947, vol. 69, p. 2096
  作者：Ralston et al.

  DOI：——

  日期：——
• US3968066A
  申请人：——

  公开号：US3968066A

  公开（公告）日：1976-07-06
• US4585572A
  申请人：——

  公开号：US4585572A

  公开（公告）日：1986-04-29