1,4,8-Triazacycloundecane;hydrobromide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,4,8-Triazacycloundecane;hydrobromide
• 化学式: 3BrH*C₈H₁₉N₃
• 分子量: 399.995
• InChiKey: NMHGZQFCPCQRGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.13
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.1
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  copper(ll) bromide 、 1,4,8-Triazacycloundecane;hydrobromide 在 NaOH 作用下， 以 水 为溶剂， 生成 Cu([11]aneN3)Br2
  参考文献：
  名称：

  Hegg, Eric L.; Mortimore, Stephen H.; Cheung, Chin Li, Inorganic Chemistry, 1999, vol. 38, p. 2961 - 2968

  摘要：

  DOI：

文献信息

• Cadmium(II) complexation by a series of triazacycloalkanes ([x]aneN3, x = 9–12). An equilibrium and structural study
  作者：Leverett J. Zompa、Hilda Diaz、T.N. Margulis

  DOI：10.1016/0020-1693(94)04380-e

  日期：1995.4

  The complexation of Cd(II) by a series of triazacycloalkanes, ([x]aneN(3), x = 9-12), has been studied in 0.10 mol dm(-3) KNO3 aqueous solution at 298.2+/-0.1 K. Stability constants (beta(CdL)) for the complexes decrease in magnitude with increasing number of atoms in the ligand ring, and are several orders of magnitude smaller than corresponding beta(ZnL) values. Two complexes [Cd-2([9]aneN(3))(2)(mu-Cl)(2)Cl-2] (1) and [Cd-2([11]aneN(3))(2)a(mu-Cl)(2)Br-2] (2) were synthesized, and the structures determined by X-ray crystallography. Complex 1 crystallizes in the triclinic space group P1, with a = 7.657(2), b = 7.741(2), c = 17.750(2) Angstrom, alpha = 90.13(3), beta = 94.65(3), gamma = 90.76(3)degrees and V = 1048.5(5) Angstrom(3) for Z = 2. Complex 2 crystallizes in the monoclinic space group P2(1)/c with a = 8.144(2), b = 8.469(2), c = 18.480(4) Angstrom, beta = 97.62(3)degrees and V = 1263.3(6) Angstrom(3) for Z = 2. Both structures contain bridging di-mu-chloro groups separating six-coordinate Cd(II). Each Cd(II) is also bonded to a tridentate ligand and Cl (structure 1) or Br (structure 2).
• Hegg, Eric L.; Mortimore, Stephen H.; Cheung, Chin Li, Inorganic Chemistry, 1999, vol. 38, p. 2961 - 2968
  作者：Hegg, Eric L.、Mortimore, Stephen H.、Cheung, Chin Li、Huyett, Jennifer E.、Powell, Douglas R.、Burstyn, Judith N.

  DOI：——

  日期：——