[Zn(1,4,7,10-tetraazacyclododecane-κ4-N(4,4,7,10))(NO3-κ2-O,O')]NO3 | 299924-05-3

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: [Zn(1,4,7,10-tetraazacyclododecane-κ4-N(4,4,7,10))(NO3-κ2-O,O')]NO3
• 英文别名: [Zn(cyclen-κ4-N(4,4,7,10))(NO3-κ2-O,O')]NO3
• CAS: 299924-05-3；1268852-96-5；1124125-26-3
• 化学式: C₈H₂₀N₅O₃Zn*NO₃
• 分子量: 361.673
• InChiKey: QHMRGDVZSPLHEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  zinc(II) nitrate hexahydrate 、 轮环藤宁 在 nicotine 作用下， 以 水 为溶剂， 以70%的产率得到[Zn(1,4,7,10-tetraazacyclododecane-κ4-N(4,4,7,10))(NO3-κ2-O,O')]NO3
  参考文献：
  名称：

  Utilization of IR spectral detailed analysis for coordination mode determination in novel Zn–cyclen–aminoacid complexes

  摘要：

  The infrared spectra, elemental and thermal (TG/DTG and DTA) analyses of novel [Zn(cyclen-kappa N-4(1,4,7,10))(HGly-kappa O-2,O')](ClO4)(2) (1), and [Zn-2(Cyclen-kappa N-4(1,4,7,10))(2)(mu-S-Ala-kappa N-2,O)](ClO4)(3)center dot 2H(2)O (2) complexes (cyclen - 1,4,7,10-tetraazacyclododecane) were recorded and analyzed in the relation to their structural peculiarities. IR spectral data indicate both mono- or bidentate coordination mode of a carboxylate group in the prepared complexes (at pH approximate to 9). The results indicate unusual bidentate carboxylate coordination mode (in complex (1)) toward to Zn2+-cyclen unit. Therefore the crystal structure determination of the crystalline complex [Zn(cyclen-kappa N-4(1,4,7,10))(NO3-kappa O-2,O')](NO3) was attached in order to support the coordination mode assignment in complex (C). 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.12.022