951745-26-9 (benzyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate,Benzyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate)

CAS号:
951745-26-9
中文名称:
benzyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate
英文名称:
Benzyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate
分子式:
C16H19NO3
分子量:
273.326964616776

benzyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate(951745-26-9)名称与标识符

名称

中文别名:
3-甲酰基-8-氮杂双环[3.2.1]辛烷-8-羧酸苄酯;
英文别名:
benzyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;EXO-8-CBZ-3-FORMYL-8-AZABICYCLO[3.2.1]OCTANE;(3-exo)-benzyl3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;NGCKJIDKOVNEIV-UHFFFAOYSA-N;8-N-Cbz-3-(exo-formyl)-8-azabicyclo[3.2.1]octane;8-Benzyloxycarbonyl-8-azabicyclo[3.2.1]octan-3-carbaldehyde;8-(Benzyloxycarbonyl)-8-azabicyclo[3.2.1]octane-3-carbaldehyde;

标识符

InChIKey:
NGCKJIDKOVNEIV-UHFFFAOYSA-N
Inchi:
1S/C16H19NO3/c18-10-13-8-14-6-7-15(9-13)17(14)16(19)20-11-12-4-2-1-3-5-12/h1-5,10,13-15H,6-9,11H2
SMILES:
O(CC1C=CC=CC=1)C(N1C2CC(C=O)CC1CC2)=O

benzyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate(951745-26-9)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 重原子数量 : 20
  • 复杂度 : 351
  • 拓扑分子极性表面积 : 46.6