dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN(4))methanamine-κN]copper(II) | 500586-43-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN(4))methanamine-κN]copper(II)
• 英文别名: dichlorocopper;N,N-dimethyl-1-(1-methyltetrazol-5-yl)methanamine
• CAS: 500586-43-6
• 化学式: C₅H₁₁Cl₂CuN₅
• 分子量: 275.628
• InChiKey: QVRNLCTVVLLHBZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.65
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl)methanamine 、 copper dichloride 以 乙醇 、 正丁醇 为溶剂， 以91%的产率得到dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN(4))methanamine-κN]copper(II)
  参考文献：
  名称：

  Dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN⁴)methanamine-κN]copper(II)

  摘要：

  The title compound, [CuCl2 (C5H11N5)], is the first structurally characterized molecular chelate complex involving an alpha-aminoalkyltetrazole. There are two complex molecules in the asymmetric unit. The ligand molecules are bidentate. Both Cu atoms reveal rather distorted square-planar coordinations. The complex molecules are linked together by van der Waals interactions only.

  DOI：

  10.1107/s0108270102019431

文献信息

• Dichloro[<i>N</i>,<i>N</i>-dimethyl-1-(1-methyl-1<i>H</i>-tetrazol-5-yl-κ<i>N</i>⁴)methanamine-κ<i>N</i>]copper(II)
  作者：Dmitry O. Ivashkevich、Alexander S. Lyakhov、Sergei V. Voitekhovich、Pavel N. Gaponik

  DOI：10.1107/s0108270102019431

  日期：2002.12.15

  The title compound, [CuCl2 (C5H11N5)], is the first structurally characterized molecular chelate complex involving an alpha-aminoalkyltetrazole. There are two complex molecules in the asymmetric unit. The ligand molecules are bidentate. Both Cu atoms reveal rather distorted square-planar coordinations. The complex molecules are linked together by van der Waals interactions only.