ChemSpider 2D Image | 8-[2-(3-Fluorophenyl)vinyl]-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione | C19H21FN4O2

8-[2-(3-Fluorophenyl)vinyl]-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC19H21FN4O2
  • Average mass356.394 Da
  • Monoisotopic mass356.164856 Da
  • ChemSpider ID28688781

More details:

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

1H-Purine-2,6-dione, 8-[2-(3-fluorophenyl)ethenyl]-3,7-dihydro-1,3-dipropyl- [ACD/Index Name]
8-[2-(3-Fluorophenyl)vinyl]-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[2-(3-Fluorophényl)vinyl]-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-[2-(3-Fluorphenyl)vinyl]-1,3-dipropyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.5±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 361.01
ACD/KOC (pH 5.5): 2355.76
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 331.67
ACD/KOC (pH 7.4): 2164.34
Polar Surface Area: 69 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 278.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement