ChemSpider 2D Image | 7-(3-Ethoxypropyl)-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one | C12H20N4O6

7-(3-Ethoxypropyl)-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one

  • Molecular FormulaC12H20N4O6
  • Average mass316.310 Da
  • Monoisotopic mass316.138275 Da
  • ChemSpider ID29093918

More details:

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

3,7-Diazabicyclo[3.3.1]nonan-2-one, 7-(3-ethoxypropyl)-1,5-dinitro- [ACD/Index Name]
7-(3-Ethoxypropyl)-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-on [German] [ACD/IUPAC Name]
7-(3-Ethoxypropyl)-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one [ACD/IUPAC Name]
7-(3-Éthoxypropyl)-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 544.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.3±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 75.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 56.21
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 61.58
Polar Surface Area: 133 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 231.5±5.0 cm3

Click to predict properties on the Chemicalize site


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