N-chloroalanine anion | 85507-56-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-chloroalanine anion
• CAS: 85507-56-8
• 化学式: C₃H₅ClNO₂
• 分子量: 122.531
• InChiKey: TYZYNGFWGHGRBZ-REOHCLBHSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.13
• 重原子数：
  7.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.16
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-chloroalanine anion 以 水 为溶剂， 生成 二氧化碳 、 乙醛
  参考文献：
  名称：

  Pressure and pH dependence of the kinetics of decarboxylative dechlorination of N-chloro-l-alanine

  摘要：

  The kinetics of decarboxylative dechlorination of N-chloroalanine were studied at 25 degrees in aqueous HCl solutions covering the pH range 1.4 to 2.8. These data were compared with literature results, and were interpreted in terms of first-order reactions of the cationic, uncharged, and anionic forms of the reactant. Pressure effect studies on the reaction of the anionic species yielded a volume of activation estimate of + 50 +/- 3 cm(3) mol(-1). This result is consistent with a concerted fragmentation process. (C) 1996 John Wiley & Sons.

  DOI：

  10.1002/(sici)1097-4601(1996)28:11<791::aid-kin1>3.0.co;2-i