5,7-dimethyl-1,8-naphthyridine-2-amine:(2,4,6-trinitrophenol) | 1243601-56-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,7-dimethyl-1,8-naphthyridine-2-amine:(2,4,6-trinitrophenol)
• CAS: 1243601-56-0
• 化学式: C₆H₃N₃O₇*C₁₀H₁₁N₃
• 分子量: 402.323
• InChiKey: LVYKSCIPGCFOHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.95
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  201.45
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  5,7-二甲基[1,8]萘啶-2-胺 、 苦味酸 以 甲醇 为溶剂， 以89.92%的产率得到5,7-dimethyl-1,8-naphthyridine-2-amine:(2,4,6-trinitrophenol)
  参考文献：
  名称：

  Hydrogen bonded supramolecular architectures of organic salts based on 5,7-dimethyl-1,8-naphthyridine-2-amine and acidic compounds

  摘要：

  Studies concentrating on hydrogen bonding between the base of 5,7-dimethyl-1,8-naphthyridine-2-amine and acidic compounds have led to an increased understanding of the role 5,7-dimethyl-1,8-naphthyridine-2-amine has in binding with acidic compounds. Here anhydrous and hydrated multicomponent crystals of 5,7-dimethyl-1,8-naphthyridine-2-amine have been prepared with oxalic acid, 2,4,6-trinitrophenol, terephthalic acid, and phthalic acid. The four crystalline forms reported are organic salts of which the crystal structures have all been determined by X-ray diffraction. All products were formed in solution and obtained by the slow evaporation technique. The role of weak and strong hydrogen bonding in the crystal packing is ascertained. Crown Copyright (C) 2010 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.04.006