5531-95-3 (蓟罂粟宁碱,Dibenzo[a,e]cyclooctene-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-)

CAS号:
5531-95-3
中文名称:
蓟罂粟宁碱
英文名称:
Dibenzo[a,e]cyclooctene-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-
分子式:
C21H25NO4
分子量:
355.42750620842
植物源:

蓟罂粟宁碱(5531-95-3)名称与标识符

名称

中文别名:
蓟罂粟宁碱;
英文别名:
Dibenzo[a,e]cyclooctene-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-;Argemonine, (.+-.)-;4-Methoxy-N-methylaniline hydrochloride;N-Methyl-p-anisidin,Hydrochlorid;N-methyl-p-anisidine hydrochloride;(-)-Argemonine;(5S,11S)-5,6,11,12-Tetrahydro-2,3,8,9-tetramethoxy-13-methyl-5,11-epiminodibenzo[a,e]cyclooctene;[5S,11S,(-)]-5,6,11,12-Tetrahydro-2,3,8,9-tetramethoxy-13-methyl-5,11-epiminodibenzo[a,e]cyclooctene;Nsc148821;Dibenzo[a,e]cyclooctene-5,11-imine, 5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-;

标识符

InChIKey:
QEOWCPFWLCIQSL-UHFFFAOYSA-N
Inchi:
1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3
SMILES:
CN1C2C3=CC(OC)=C(OC)C=C3CC1C1=CC(OC)=C(OC)C=C1C2

蓟罂粟宁碱(5531-95-3)物化性质

实验特性

  • LogP : 3.48530
  • PSA : 40.16000
  • 沸点 : 446.0±45.0 °C(Predicted)
  • 熔点 : 132 °C
  • 酸度系数(pKa) : 6.55±0.20(Predicted)
  • 密度 : 1.156±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 355.17800