ChemSpider 2D Image | cis-3a,6a-Diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione | C16H14N4O2

cis-3a,6a-Diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione

  • Molecular FormulaC16H14N4O2
  • Average mass294.308 Da
  • Monoisotopic mass294.111664 Da
  • ChemSpider ID32699251

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

cis-3a,6a-Diphenyltetrahydroimidazo[4,5-d]imidazol-2,5(1H,3H)-dion [German] [ACD/IUPAC Name]
cis-3a,6a-Diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione [ACD/IUPAC Name]
cis-3a,6a-Diphényltétrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione [French] [ACD/IUPAC Name]
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-3a,6a-diphenyl-, cis- [ACD/Index Name]
101241-21-8 [RN]
DIPHENYLGLYCOLURIL, CIS-
UNII:C15I92344M
UNII-C15I92344M

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 277.6±31.7 °C
Index of Refraction: 1.643
Molar Refractivity: 78.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.44
ACD/KOC (pH 5.5): 246.84
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.44
ACD/KOC (pH 7.4): 246.82
Polar Surface Area: 82 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 218.0±3.0 cm3

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