L-lysine 4-nitrophenolate monohydrate | 1613273-27-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: L-lysine 4-nitrophenolate monohydrate
• CAS: 1613273-27-0
• 化学式: C₆H₅NO₃*C₆H₁₄N₂O₂*H₂O
• 分子量: 303.315
• InChiKey: QARDYYBKGAQQBO-XRIGFGBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.0
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  184.21
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  对硝基苯酚 、 L-赖氨酸水合物 、 水 反应 2.0h， 生成 L-lysine 4-nitrophenolate monohydrate
  参考文献：
  名称：

  Synthesis, growth, crystal structure and characterization of a new organic NLO crystal: l-Lysine 4-nitrophenolate monohydrate (LLPNP)

  摘要：

  L-Lysine 4-nitrophenolate monohydrate (LLPNP) has been synthesized and grown by solution growth method at room temperature using deionised water as a solvent. The crystal structure of the materials was solved by single crystal X-ray diffraction analysis and it was found that the material has orthorhombic system. The crystallinity of the grown crystals was studied by the powder X-ray diffraction analysis. Molecular structure of the grown crystal was investigated by H-1 NMR spectroscopy. The various functional groups of the sample were identified by Fourier transform infrared and Fourier transform-Raman spectroscopic analyses. Thermal stability of the grown crystal has been studied by Thermogravimetric and Differential thermal (TG&DTA) analysis. The optical absorption of the grown crystals has been ascertained by UV-Vis-NIR absorption studies. Second harmonic generation (SHG) efficiency of the material has been determined by Kurtz and Perry technique and the efficiency was found to be 4.45 and 1.4 times greater than that of standard KDP and urea samples, respectively. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.04.033