N-hydroxyethyl-N-(2-benzimidazolylmethyl)ethylenediaminediacetic acid | 151299-15-9

• 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-hydroxyethyl-N-(2-benzimidazolylmethyl)ethylenediaminediacetic acid
• 英文别名: N-hydroxyethyl-N-benzimidazolylmethylethylenediaminediacetic acid；2-[2-[1H-benzimidazol-2-ylmethyl(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
• CAS: 151299-15-9
• 化学式: C₁₆H₂₂N₄O₅
• 分子量: 350.374
• InChiKey: HTAYIEOGEHVWEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  130
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 N-hydroxyethyl-N-(2-benzimidazolylmethyl)ethylenediaminediacetic acid 以 水 为溶剂， 以55.8%的产率得到
  参考文献：
  名称：

  Complexes of N -hydroxyethyl- N -benzimidazolylmethylethylenediaminediacetic acid with copper(II) and cobalt(II): Preparation, crystal structure and urease inhibitory activity

  摘要：

  DOI：

  10.1016/j.ica.2014.06.035

文献信息

• Syntheses, properties and structure of the complexes of n-hydroxyethyl-n-benzimidazolylmethylethylenediaminediacetic acid with copper(II) and nickel(II)
  作者：Luqin Yang、Genglin Wang、Shiping Yan、Daizheng Liao、Zonghui Jiang、Panwen Shen、Honggen Wang、Ruji Wang、Xinkan Yao

  DOI：10.1016/s0277-5387(00)84614-8

  日期：1993.7

  Two new complexes, NiL.3H2O and CuL.H2O (L=N-hydroxylethyl-N-benzimidazolylmethylethylenediaminediacetic actate), have been synthesized and characterized by elemental analysis, IR and ESR spectra. The crystal structure of NiL.3H2O has been determined by single-crystal X-ray diffraction. The nickel centre is six-coordinate with distorted octahedral symmetry. IR and ESR spectra show that the structure of the copper compound is different from that of the nickel compound. The former may be a dimer and with a d(x2-y2) ground state. The hyperfine structure splitting parameter in copper is A2N = 37.2 G.
• Complexes of N -hydroxyethyl- N -benzimidazolylmethylethylenediaminediacetic acid with copper(II) and cobalt(II): Preparation, crystal structure and urease inhibitory activity
  作者：L. Habala、A. Roller、M. Matuška、J. Valentová、A. Rompel、F. Devínsky

  DOI：10.1016/j.ica.2014.06.035

  日期：2014.9