ethyl-benzhydryl-amine; hydrochloride | 53693-51-9

• 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: ethyl-benzhydryl-amine; hydrochloride
• 英文别名: Aethyl-benzhydryl-amin; Hydrochlorid；(Diphenylmethyl)(ethyl)amine hydrochloride；N-benzhydrylethanamine;hydrochloride
• CAS: 53693-51-9
• 化学式: C₁₅H₁₇N*ClH
• mdl: MFCD12197246
• 分子量: 247.768
• InChiKey: BEJPFNSKBNHAHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.67
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二苯甲酮 、 乙胺 在 盐酸 、 甲酸 作用下， 生成 ethyl-benzhydryl-amine; hydrochloride
  参考文献：
  名称：

  N-Methyl- andN-Ethylbenzhydrylamine Hydrochloride

  摘要：

  The title compounds, MBH (C14H16N+.Cl-) and EBH (C15H18N+.Cl-), respectively, act as inhibitors of smooth-muscle spasms. Both compounds crystallize in enantiomorphous space groups, but EBH presents two crystallographically inequivalent enantiomers. In both cases, the molecular conformation can be classified as deformed helical C,. Both compounds form infinite chains along b through two types of N-H ... Cl bond.

  DOI：

  10.1107/s0108270197011359

文献信息

• <i>N</i>-Methyl- and<i>N</i>-Ethylbenzhydrylamine Hydrochloride
  作者：A. E. Goeta、G. Punte、B. E. Rivero、L. B. Blanch

  DOI：10.1107/s0108270197011359

  日期：1997.12.15

  The title compounds, MBH (C14H16N+.Cl-) and EBH (C15H18N+.Cl-), respectively, act as inhibitors of smooth-muscle spasms. Both compounds crystallize in enantiomorphous space groups, but EBH presents two crystallographically inequivalent enantiomers. In both cases, the molecular conformation can be classified as deformed helical C,. Both compounds form infinite chains along b through two types of N-H ... Cl bond.