ChemSpider 2D Image | 1,3-Dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione | C15H13N5O5

1,3-Dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC15H13N5O5
  • Average mass343.294 Da
  • Monoisotopic mass343.091675 Da
  • ChemSpider ID21601564

More details:

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

1,3-Dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1,3-Dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1,3-Diméthyl-7-[2-(3-nitrophényl)-2-oxoéthyl]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]- [ACD/Index Name]
1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

Density: 1.6±0.1 g/cm3
Boiling Point: 592.6±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.2±32.3 °C
Index of Refraction: 1.714
Molar Refractivity: 86.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.18
ACD/KOC (pH 5.5): 170.09
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.18
ACD/KOC (pH 7.4): 170.09
Polar Surface Area: 121 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 221.1±7.0 cm3

Click to predict properties on the Chemicalize site


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