2-glycyl radical | 2772-75-0

• 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: 2-glycyl radical
• 英文别名: amino-carboxy-methyl；Amino(carboxy)methyl
• CAS: 2772-75-0
• 化学式: C₂H₄NO₂
• 分子量: 74.0593
• InChiKey: DXMZNKNJOBUNRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.2
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  glycine radical 以 solid 为溶剂， 生成 2-glycyl radical
  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

• Experimental and theoretical structural parameters of the glycine ĊH2–NH2 radical
  作者：V. Chiş、M. Brustolon、C. Morari、O. Cozar、L. David

  DOI：10.1016/s0022-2860(98)00854-0

  日期：1999.5

  An experimental and theoretical analysis is reported for the geometrical structure and unpaired spin density of the CH2-NH2 radical produced in a gamma-irradiated single crystal of glycine at room temperature. Geometrical parameters obtained by using the two-center dipole approximation indicate that the radical is not planar at the carbon site. Ab initio calculations were performed in order to estimate the structural parameters and unpaired spin density of the radical (C) over dot H-2-NH2 in an anisotropic matrix. A good agreement was obtained between the calculated and observed values. Using the Saturation Recovery (SR) method in the temperature range 190-290 K we have obtained a set of spin lattice relaxation times, attributed to the reorientation of the amino group of the NH3-(C) over dot H-COO- radical, simultaneously produced in gamma-irradiated solid glycine with (C) over dot H-2-COO- and (C) over dot H-2-NH2 radicals. (C) 1999 Elsevier Science B.V. All rights reserved.