ChemSpider 2D Image | 3,7-Dibutyryl-1,5-diisopropyl-3,7-diazabicyclo[3.3.1]nonan-9-one | C21H36N2O3

3,7-Dibutyryl-1,5-diisopropyl-3,7-diazabicyclo[3.3.1]nonan-9-one

  • Molecular FormulaC21H36N2O3
  • Average mass364.522 Da
  • Monoisotopic mass364.272583 Da
  • ChemSpider ID23718107

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,7-Diazabicyclo[3.3.1]nonan-9-one, 1,5-bis(1-methylethyl)-3,7-bis(1-oxobutyl)- [ACD/Index Name]
3,7-Dibutyryl-1,5-diisopropyl-3,7-diazabicyclo[3.3.1]nonan-9-on [German] [ACD/IUPAC Name]
3,7-Dibutyryl-1,5-diisopropyl-3,7-diazabicyclo[3.3.1]nonan-9-one [ACD/IUPAC Name]
3,7-Dibutyryl-1,5-diisopropyl-3,7-diazabicyclo[3.3.1]nonan-9-one [French] [ACD/IUPAC Name]
496018-38-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 157.0±21.1 °C
Index of Refraction: 1.509
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.41
ACD/KOC (pH 5.5): 1382.70
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.41
ACD/KOC (pH 7.4): 1382.70
Polar Surface Area: 58 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 341.6±3.0 cm3

Click to predict properties on the Chemicalize site


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