3-(4,6-diamino-1,3,5-triazin-2-yl)-2-naphthonitrile | 1151520-18-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-naphthonitrile
• 英文别名: 3-(4,6-Diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile；3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile
• CAS: 1151520-18-1
• 化学式: C₁₄H₁₀N₆
• 分子量: 262.274
• InChiKey: DLZJSUGWNUSCIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,3-二氰基萘 、 二聚氰胺 反应 6.0h， 生成 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-naphthonitrile
  参考文献：
  名称：

  Wave-like structure in 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-naphthonitrile

  摘要：

  In the title compound, C14H10N6, which crystallizes with Z' = 2 in the C2/c space group, the molecules are linked by N - H center dot center dot center dot N hydrogen bonds into chains, which are arranged in a wave-like form stabilized by aromatic pi-pi stacking interactions. This work demonstrates the usefulness of aromatic triazine derivatives in crystal engineering.

  DOI：

  10.1107/s0108270108003831

文献信息

• Wave-like structure in 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-naphthonitrile
  作者：Jan Janczak

  DOI：10.1107/s0108270108003831

  日期：2008.3.15

  In the title compound, C14H10N6, which crystallizes with Z' = 2 in the C2/c space group, the molecules are linked by N - H center dot center dot center dot N hydrogen bonds into chains, which are arranged in a wave-like form stabilized by aromatic pi-pi stacking interactions. This work demonstrates the usefulness of aromatic triazine derivatives in crystal engineering.