| 1608150-96-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1608150-96-4
• 化学式: C₁₃H₁₁NO*C₃₆H₆₀O₃₀
• 分子量: 1170.09
• InChiKey: JZLYTLMHTHUYCE-HAPKRNSXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.56
• 重原子数：
  81.0
• 可旋转键数：
  8.0
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  517.99
• 氢给体数：
  19.0
• 氢受体数：
  32.0

反应信息

• 作为产物：
  描述：

  2-氨基二苯甲酮 、 α-环糊精 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Nanostructures formed by cyclodextrin covered aminobenzophenones through supramolecular self assembly

  摘要：

  Cyclodextrin (alpha and beta) based nanostructures formed with 2-aminobenzophenone, 3-aminobenzophenone through the supramolecular self assembly are studied by absorption, fluorescence, time-resolved fluorescence, SEM, TEM, FT-IR, DSC, PXRD and H-1 NMR. The unequal layer by layer nanosheets and nanoribbons are formed through self assembly of 3ABP/CD inclusion complexes. 2ABP/alpha-CD complex nanostructures show the self assembly hierarchical thread structure and beta-CD complexes displays a nanobrick structure. The formation of nanostructures are prearranged to H-O center dot center dot center dot H, NH2 center dot center dot center dot O and H2N center dot center dot center dot H intermolecular hydrogen bond between individual complexes. The absorption and fluorescence spectral changes explicit formation of 1:1 inclusion complexes and solvent study demonstrate the ESIPT and TICT present in both molecules. The thermodynamic parameters (Delta H, Delta G and Delta S) of 2ABP and 3ABP molecule and the inclusion complexes were determined from semiempirical PM3 calculations. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.02.024