331852-88-1 ((1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(3,4,5-trimethoxyphenyl)-)

CAS号:
331852-88-1
英文名称:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(3,4,5-trimethoxyphenyl)-
分子式:
C20H22N2O3
分子量:
338.400285243988

1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(3,4,5-trimethoxyphenyl)-(331852-88-1)名称与标识符

名称

英文别名:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(3,4,5-trimethoxyphenyl)-;

标识符

InChIKey:
YPOUKKHERCNHSK-UHFFFAOYSA-N
Inchi:
1S/C20H22N2O3/c1-23-16-10-12(11-17(24-2)20(16)25-3)18-19-14(8-9-21-18)13-6-4-5-7-15(13)22-19/h4-7,10-11,18,21-22H,8-9H2,1-3H3
SMILES:
N1C2=C(C=CC=C2)C2CCNC(C3=CC(OC)=C(OC)C(OC)=C3)C1=2

1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(3,4,5-trimethoxyphenyl)-(331852-88-1)物化性质

实验特性

  • PSA : 55.51
  • 沸点 : 511.6±50.0 °C(Predicted)
  • 熔点 : 161 °C
  • 酸度系数(pKa) : 17.28±0.40(Predicted)
  • 密度 : 1.204±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 338.16316