ChemSpider 2D Image | 1,3,7-Trimethyl-8-[(2-{methyl[(2R)-1-phenyl-2-propanyl]amino}ethyl)amino]-3,7-dihydro-1H-purine-2,6-dione | C20H28N6O2

1,3,7-Trimethyl-8-[(2-{methyl[(2R)-1-phenyl-2-propanyl]amino}ethyl)amino]-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC20H28N6O2
  • Average mass384.475 Da
  • Monoisotopic mass384.227386 Da
  • ChemSpider ID34983877

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,7-Trimethyl-8-[(2-{methyl[(2R)-1-phenyl-2-propanyl]amino}ethyl)amino]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1,3,7-Trimethyl-8-[(2-{methyl[(2R)-1-phenyl-2-propanyl]amino}ethyl)amino]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1,3,7-Triméthyl-8-[(2-{méthyl[(2R)-1-phényl-2-propanyl]amino}éthyl)amino]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[2-[methyl[(1R)-1-methyl-2-phenylethyl]amino]ethyl]amino]- [ACD/Index Name]
28947-50-4 [RN]
fencamine
UNII-3AO7AC8C6K

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

Density: 1.2±0.1 g/cm3
Boiling Point: 564.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.9±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 18.59
Polar Surface Area: 74 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 311.7±7.0 cm3

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