1-(4'-bromobenzyl)-4-aminopyridinium bromide | 830323-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(4'-bromobenzyl)-4-aminopyridinium bromide
• 英文别名: 4-Amino-1-[(4-bromophenyl)methyl]pyridin-1-ium bromide；1-[(4-bromophenyl)methyl]pyridin-1-ium-4-amine;bromide
• CAS: 830323-15-4
• 化学式: Br*C₁₂H₁₂BrN₂
• 分子量: 344.049
• InChiKey: JBUKHPHZPCWCLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.63
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  29.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4'-bromobenzyl)-4-aminopyridinium bromide 在 I₂ 作用下， 以 水 、 乙腈 为溶剂， 生成 [1-(4'-bromobenzyl)-4-aminopyridinium][Ni(III)(maleonitriledithiolate)2]
  参考文献：
  名称：

  Unusual magnetic property associated with a structural phase transition within a new ion-pair complex

  摘要：

  A novel ion-pair complex, [BrbzPyNH(2)][Ni(mnt)(2)], where [BrbzPyNH(2)](+) = 1-(4'-bromobenzyl)-4-aminopyridinium and mnt(2-) = maleonitriledithiolate, forms a completely segregated uniform stacking column with the (NiNi)-Ni-... distance 3.952 Angstrom and undergoes a magnetic phase transition from paramagnetism in the high-temperature (HT) phase to diamagnetism in the low-temperature (LT) phase at around 105 K. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2004.07.011

文献信息

• Unusual magnetic property associated with a structural phase transition within a new ion-pair complex
  作者：Chun-Lin Ni、Dong-Bin Dang、Yi-Zhi Li、Zuan-Ru Yuan、Zhao-Ping Ni、Zheng-Fang Tian、Qing-Jin Meng

  DOI：10.1016/j.inoche.2004.07.011

  日期：2004.9

  A novel ion-pair complex, [BrbzPyNH(2)][Ni(mnt)(2)], where [BrbzPyNH(2)](+) = 1-(4'-bromobenzyl)-4-aminopyridinium and mnt(2-) = maleonitriledithiolate, forms a completely segregated uniform stacking column with the (NiNi)-Ni-... distance 3.952 Angstrom and undergoes a magnetic phase transition from paramagnetism in the high-temperature (HT) phase to diamagnetism in the low-temperature (LT) phase at around 105 K. (C) 2004 Elsevier B.V. All rights reserved.