ChemSpider 2D Image | 1-(4-Chlorobenzyl)-3,7-dimethyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione | C19H23ClN6O2

1-(4-Chlorobenzyl)-3,7-dimethyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC19H23ClN6O2
  • Average mass402.878 Da
  • Monoisotopic mass402.157104 Da
  • ChemSpider ID17920480

More details:






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

1-(4-Chlorbenzyl)-3,7-dimethyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-(4-Chlorobenzyl)-3,7-dimethyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-(4-Chlorobenzyl)-3,7-diméthyl-8-(4-méthyl-1-pipérazinyl)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 1-[(4-chlorophenyl)methyl]-3,7-dihydro-3,7-dimethyl-8-(4-methyl-1-piperazinyl)- [ACD/Index Name]
1-(4-chlorobenzyl)-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
919020-32-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 594.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.1±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 108.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.28
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 25.13
ACD/KOC (pH 7.4): 271.87
Polar Surface Area: 65 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 284.2±7.0 cm3

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