ChemSpider 2D Image | 1-Benzyl-8-[(3-isopropoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C20H27N5O3

1-Benzyl-8-[(3-isopropoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC20H27N5O3
  • Average mass385.460 Da
  • Monoisotopic mass385.211395 Da
  • ChemSpider ID17920479

More details:






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

1-Benzyl-8-[(3-isopropoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-Benzyl-8-[(3-isopropoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-Benzyl-8-[(3-isopropoxypropyl)amino]-3,7-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-[[3-(1-methylethoxy)propyl]amino]-1-(phenylmethyl)- [ACD/Index Name]
1-benzyl-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
1-benzyl-8-((3-isopropoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
919020-30-7 [RN]
C20H27N5O3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.0±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.48
ACD/KOC (pH 5.5): 1724.95
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.52
ACD/KOC (pH 7.4): 1725.27
Polar Surface Area: 80 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 308.3±7.0 cm3

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