ChemSpider 2D Image | 8-[(E)-2-(3,4-Dimethoxyphenyl)vinyl]-7-(~11~C)methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione | C2111CH28N4O4

8-[(E)-2-(3,4-Dimethoxyphenyl)vinyl]-7-(11C)methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC2111CH28N4O4
  • Average mass411.483 Da
  • Monoisotopic mass411.222473 Da
  • ChemSpider ID4575287

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Purine-2,6-dione, 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,7-dihydro-7-(methyl-11C)-1,3-dipropyl- [ACD/Index Name]
8-[(E)-2-(3,4-Dimethoxyphenyl)vinyl]-7-(11C)methyl-1,3-dipropyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(E)-2-(3,4-Dimethoxyphenyl)vinyl]-7-(11C)methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(E)-2-(3,4-Diméthoxyphényl)vinyl]-7-(11C)méthyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MOLI001317 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 341.3±7.0 cm3

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