2-amino-4-picolinium toluene sulfonate | 1333896-15-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-amino-4-picolinium toluene sulfonate
• CAS: 1333896-15-3
• 化学式: C₆H₈N₂*C₇H₈O₃S
• 分子量: 280.348
• InChiKey: NYRLJGHVIYVPFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  93.28
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-氨基-4-甲基吡啶 、 对甲苯磺酸 以 甲醇 为溶剂， 生成 2-amino-4-picolinium toluene sulfonate
  参考文献：
  名称：

  Growth and characterization of 2-amino-4-picolinium toluene sulfonate single crystal

  摘要：

  2-Amino-4-picolinium toluene sulfonate (2A4PTS), a new organic material, was synthesized and grown as single crystals in room temperature by slow evaporation solution growth technique using water as solvent. The crystal structure of 2A4PTS has been determined using single crystal X-ray diffraction studies. 2A4PTS belongs to monoclinic crystal system. The molecular arrangements in the crystal were studied. The structural perfection of the grown crystals has been analysed by high-resolution X-ray diffraction (HRXRD) rocking curve measurements. Fourier transform infrared (FTIR) spectral studies have been performed to identify the functional groups. The optical transmittance window and the lower cutoff wavelength of the 2A4PTS have been identified by UV-Vis-NIR studies. The nonlinear optical properties have been investigated by Z-scan method. The nonlinear refractive index and linear absorption coefficient of the 2A4PTS are found to be in the order of 10(-8) cm(2)/W and 10(-4) cm/W, respectively. The laser induced surface damage threshold for the grown crystal was measured using Nd:YAG laser. Thermal analysis carried out on the compound reveals that 2A4PTS is stable up to 133 degrees C. The microhardness test was carried out and the load dependent hardness was measured. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.08.003