ChemSpider 2D Image | ethyl 3,6-diphenyl-2H-1,2,4,5-tetrazine-1-carboxylate | C17H16N4O2

ethyl 3,6-diphenyl-2H-1,2,4,5-tetrazine-1-carboxylate

  • Molecular FormulaC17H16N4O2
  • Average mass308.335 Da
  • Monoisotopic mass308.127319 Da
  • ChemSpider ID21129391

More details:

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

3,6-Diphényl-1,2,4,5-tétrazine-1(2H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl-3,6-diphenyl-1,2,4,5-tetrazin-1(2H)-carboxylat [German] [ACD/IUPAC Name]
867061-23-2 [RN]
Ethyl 3,6-diphenyl-1,2,4,5-tetrazine-1(2H)-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 421.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 208.8±24.0 °C
Index of Refraction: 1.630
Molar Refractivity: 88.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.29
ACD/KOC (pH 5.5): 846.01
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.30
ACD/KOC (pH 7.4): 846.05
Polar Surface Area: 66 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 248.6±7.0 cm3

Click to predict properties on the Chemicalize site


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