ChemSpider 2D Image | cis-glycoluril | C4H6N4O2

cis-glycoluril

  • Molecular FormulaC4H6N4O2
  • Average mass142.116 Da
  • Monoisotopic mass142.049072 Da
  • ChemSpider ID16743749

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

cis-glycoluril
207-821-5 [EINECS]
496-46-8 [RN]
Acetyleneurea
cis-Tetrahydroimidazo[4,5-d]imidazol-2,5(1H,3H)-dion [German] [ACD/IUPAC Name]
cis-Tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione [ACD/IUPAC Name]
cis-Tétrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione [French] [ACD/IUPAC Name]
Glycoluril
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-, cis- [ACD/Index Name]
U9H2W4OS13
More...

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

AI3-08271 [DBID]
NSC 2765 [DBID]
UNII:U9H2W4OS13 [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Amine; Amide; Dye; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D4830

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

Density: 1.4±0.1 g/cm3
Boiling Point: 861.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.2±3.0 kJ/mol
Flash Point: 421.8±34.4 °C
Index of Refraction: 1.514
Molar Refractivity: 30.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.40
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.40
Polar Surface Area: 82 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 100.1±3.0 cm3

Click to predict properties on the Chemicalize site


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