3-氯-6-吡啶-2-基甲基-哒嗪 | 88872-31-5

• 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
• 中文名称: 3-氯-6-吡啶-2-基甲基-哒嗪
• 英文名称: β-alanine hydroxamate hydrochloride
• 英文别名: β-alanine hydroxamic acid hydrochloride；3-Amino-N-hydroxypropanamide hydrochloride；3-amino-N-hydroxypropanamide;hydrochloride
• CAS: 88872-31-5
• 化学式: C₃H₉N₂O₂*Cl
• mdl: MFCD28016697
• 分子量: 140.57
• InChiKey: BHCOWGRTZAOTRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.29
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  75.4
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氯-6-吡啶-2-基甲基-哒嗪 、 copper dichloride 以 水 为溶剂， 生成 [Cu5(β-alaninehydroxamato(2-))4Cl2]2*2HCl*15H2O
  参考文献：
  名称：

  The new decanuclear copper(II) cluster [Cu5(β-alaha)4Cl2]2·2HCl·15H2O, its structure, spectroscopy and magnetism

  摘要：

  The new polynuclear copper(II) cluster with beta-alaninehydroxamic acid of formula [Cu-5(beta-alaha)(4)Cl-2](2) center dot 2HCl center dot 15H(2)O, where beta-alaha stands for beta-alaninehydroxamate (C3H6N2O22- ), was obtained. Single crystals of the complex were growing up in water solution. The cluster is composed of two pentameric subunits joined together by chloride bridges. Magnetic studies showed rather strong spin correlation within pentanuclear clusters and weaker interaction between them. Spectroscopic behavior of the single crystals of the cluster were studied at 293 and 4 K. Strong interactions of copper ions with different symmetry sites and strong electron phonon coupling lead to broad unsplit spectra even at 4 K. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.11.002

文献信息

• The new decanuclear copper(II) cluster [Cu5(β-alaha)4Cl2]2·2HCl·15H2O, its structure, spectroscopy and magnetism
  作者：J. Legendziewicz、M. Puchalska、Z. Ciunik、W. Wojciechowski

  DOI：10.1016/j.poly.2006.11.002

  日期：2007.4

  The new polynuclear copper(II) cluster with beta-alaninehydroxamic acid of formula [Cu-5(beta-alaha)(4)Cl-2](2) center dot 2HCl center dot 15H(2)O, where beta-alaha stands for beta-alaninehydroxamate (C3H6N2O22- ), was obtained. Single crystals of the complex were growing up in water solution. The cluster is composed of two pentameric subunits joined together by chloride bridges. Magnetic studies showed rather strong spin correlation within pentanuclear clusters and weaker interaction between them. Spectroscopic behavior of the single crystals of the cluster were studied at 293 and 4 K. Strong interactions of copper ions with different symmetry sites and strong electron phonon coupling lead to broad unsplit spectra even at 4 K. (C) 2006 Elsevier Ltd. All rights reserved.