2-(二氯氨基)乙烷磺酸钠 | 80638-45-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 2-(二氯氨基)乙烷磺酸钠
• 中文别名: 2-(二氯氨基)乙磺酸钠
• 英文名称: sodium N,N-dichlorotaurine
• 英文别名: N,N-dichlorotaurine；Taurine dichloramine；sodium;2-(dichloroamino)ethanesulfonate
• CAS: 80638-45-5
• 化学式: C₂H₄Cl₂NO₃S*Na
• 分子量: 216.02
• InChiKey: WNTHENRZWZOHIK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.85
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-chlorotaurine sodium salt 在 高氯酸 作用下， 以 水 为溶剂， 生成 牛磺酸 、 2-(二氯氨基)乙烷磺酸钠
  参考文献：
  名称：

  Chemical Properties of N-Chlorotaurine Sodium, a Key Compound in the Human Defence System

  摘要：

  N-Chlorotaurine (NCT) is known to play an important role in the human defence system. The already proved utility of the sodium salt as a disinfectant in human medicine suggested a thorough investigation of its chemical properties. Chlorine transfer to N-H groups (transhalogenation) and oxidation of thio and aromatic compounds represent its main reactions. Auto-chlorination causes disproportionation forming N,N-dichlorotaurine (NDCT) with K-d = [NDCT][taurine]/f(a)[NCT](2) aH(+) = (4.5 +/- 0.8) x 10(6), while the reaction with ammonium releasing NH2Cl is characterised by K-NHCl2 = [NH2Cl][taurine]/[NCT][NH4+] f(a)(2) = 0.02 +/- 0.004. The verified unique stability and low-level level reactivity of NCT are considered essential for its function in the mammalian defence system and its practical applicability, which manifests itself in an optimal compromise between microbicidal activity and toxicity.

  DOI：

  10.1002/1521-4184(200212)335:9<411::aid-ardp411>3.0.co;2-d