96422-45-6 ((1,3-Dioxolo[4,5-h]isoquinoline, 7-(6-ethenyl-1,3-benzodioxol-5-yl)-8,9-dihydro-6,8-dimethyl-)

CAS号:
96422-45-6
英文名称:
1,3-Dioxolo[4,5-h]isoquinoline, 7-(6-ethenyl-1,3-benzodioxol-5-yl)-8,9-dihydro-6,8-dimethyl-
分子式:
C21H19NO4
分子量:
349.379865884781

1,3-Dioxolo[4,5-h]isoquinoline, 7-(6-ethenyl-1,3-benzodioxol-5-yl)-8,9-dihydro-6,8-dimethyl-(96422-45-6)名称与标识符

名称

英文别名:
1,3-Dioxolo[4,5-h]isoquinoline, 7-(6-ethenyl-1,3-benzodioxol-5-yl)-8,9-dihydro-6,8-dimethyl-;

标识符

InChIKey:
OQHXIUCEEKUIHQ-UHFFFAOYSA-N
Inchi:
1S/C21H19NO4/c1-4-13-7-18-19(25-10-24-18)8-15(13)20-12(2)14-5-6-17-21(26-11-23-17)16(14)9-22(20)3/h4-8H,1,9-11H2,2-3H3
SMILES:
C1C2=C(C=CC3OCOC=32)C(C)=C(C2=C(C=C)C=C3OCOC3=C2)N1C

1,3-Dioxolo[4,5-h]isoquinoline, 7-(6-ethenyl-1,3-benzodioxol-5-yl)-8,9-dihydro-6,8-dimethyl-(96422-45-6)物化性质

实验特性

  • LogP : 4.05850
  • PSA : 40.16000
  • 沸点 : 527.9±50.0 °C(Predicted)
  • 酸度系数(pKa) : 4.38±0.60(Predicted)
  • 密度 : 1.298±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 349.13100

1,3-Dioxolo[4,5-h]isoquinoline, 7-(6-ethenyl-1,3-benzodioxol-5-yl)-8,9-dihydro-6,8-dimethyl-(96422-45-6)上下游