N,N'-bis((cyano)methyl)ethylenediamine | 22004-92-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-bis((cyano)methyl)ethylenediamine
• 英文别名: 2-[Cyano(methyl)amino]ethyl-methylcyanamide
• CAS: 22004-92-8
• 化学式: C₆H₁₀N₄
• 分子量: 138.172
• InChiKey: IVHDKBKMOGLIEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  54.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二(三苯基膦)环戊二烯基氯化钌(II) 、 thallium(I) hexafluorophosphate 、 二氯甲烷 、 N,N'-bis((cyano)methyl)ethylenediamine 以 甲醇 为溶剂， 以28%的产率得到[(η5-C5H5)(PPh3)2Ru(μ-CN)Ru(PPh3)2(η5-C5H5)][PF6]
  参考文献：
  名称：

  Synthesis, characterization and crystal structure of the bimetallic cyano-bridged [(η5-C5H5)(PPh3)2Ru(μ-CN)Ru(PPh3)2(η5-C5H5)][PF6]

  摘要：

  The bimetallic cyano-bridged [(eta(5) -C5H5)(PPh3)(2)Ru(mu-CN)Ru(PPh3)(2)(eta(5)-C5H5)][PF6] (1) was prepared by reaction of [(eta(5)-C5H5)(PPh3)(2)RuCl] with NN '-bis(cyanomethyl)ethylenediamine. The single crystal structure determined by X-ray diffraction showed crystallization on the triclinic PI space group with a perfect alignment of the cyanide bridges. This accentric crystallization was explored having in view the NLO properties at the macroscopic level, determined by the Kurtz Powder technique. Besides the very low efficiency values for the second harmonic generation, the value obtained for the bimetallic complex I showed to be higher than one of the parent complex [(eta(5)-C5H5)(PPh3)(2)RuCN] (2). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.02.002

文献信息

• US4140658A
  申请人：——

  公开号：US4140658A

  公开（公告）日：1979-02-20