L-valinium picrate | 222318-53-8

• 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-valinium picrate
• 英文别名: l-Valinium picrate；[(1S)-1-carboxy-2-methylpropyl]azanium;2,4,6-trinitrophenolate
• CAS: 222318-53-8
• 化学式: C₅H₁₁NO₂*C₆H₃N₃O₇
• 分子量: 346.254
• InChiKey: CZIJGNVCXSPNKU-VWMHFEHESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  221
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  L-缬氨酸 、 苦味酸 以 水 、 丙酮 为溶剂， 生成 L-valinium picrate
  参考文献：
  名称：

  Synthesis growth and characterization of l-Valinium Picrate a new nonlinear optical crystal

  摘要：

  New nonlinear optical (NLO) single crystal Of L-Valinium Picrate (LVP) was grown by slow evaporation solution growth technique at room temperature. The cell parameters of the grown crystal were estimated by single crystal X-ray diffraction analysis. The presence of functional groups was identified from Fourier transform infrared spectrum. The transmission and absorption spectra of this crystal show that the lower cut-off wavelength lies at 380 nm. Thermal analysis was performed to study the thermal stability of the grown crystal. The powder second harmonic generation efficiency of the grown crystal measured by Kurtz technique is 2 times efficient of Potassium dihydrogen orthophosphate (KDP). (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2008.02.028