ChemSpider 2D Image | 8-[(Z)-2-(3,4-Dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione | C20H24N4O4

8-[(Z)-2-(3,4-Dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC20H24N4O4
  • Average mass384.429 Da
  • Monoisotopic mass384.179749 Da
  • ChemSpider ID62979519

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Purine-2,6-dione, 8-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl- [ACD/Index Name]
8-[(Z)-2-(3,4-Dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(Z)-2-(3,4-Dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(Z)-2-(3,4-Diméthoxyphényl)vinyl]-1,3-diéthyl-7-méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
606080-73-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.3±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 105.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.30
ACD/KOC (pH 5.5): 574.88
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.30
ACD/KOC (pH 7.4): 574.88
Polar Surface Area: 77 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 309.2±7.0 cm3

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