β-alanine radical | 3237-17-0

• 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: β-alanine radical
• 英文别名: 2-amino-1-carboxy-ethyl
• CAS: 3237-17-0
• 化学式: C₃H₆NO₂
• 分子量: 88.0861
• InChiKey: SVCDUZRFGNUTQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  、 β-丙氨酸 以 solid 为溶剂， 生成 β-alanine radical 、 ethylammonium
  参考文献：
  名称：

  ESR kinetics study of the decay of low‐temperature radicals in glycine and β‐alanine

  摘要：

  Monocrystals of glycine and β-alanine have been observed by electron spin resonance (ESR) after x-irradiation near 77 °K. The rate constants of the decay of one signal in each have been determined over the ranges 127 °–148 °K and 98 °–188 °K, respectively. Both obey first-order kinetics with activation energies of ∼7.0 and ∼2.6 kcal/mole, respectively, and pre-exponential factors of 6.4×108 and 15 Hz, respectively.

  DOI：

  10.1063/1.441156

文献信息

• ESR kinetics study of the decay of low‐temperature radicals in glycine and β‐alanine
  作者：Clyde J. Smith、Charles P. Poole、Horacio A. Farach

  DOI：10.1063/1.441156

  日期：1981.1.15

  Monocrystals of glycine and β-alanine have been observed by electron spin resonance (ESR) after x-irradiation near 77 °K. The rate constants of the decay of one signal in each have been determined over the ranges 127 °–148 °K and 98 °–188 °K, respectively. Both obey first-order kinetics with activation energies of ∼7.0 and ∼2.6 kcal/mole, respectively, and pre-exponential factors of 6.4×108 and 15 Hz, respectively.