ChemSpider 2D Image | 4-Methylphenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate | C15H20N2O2

4-Methylphenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate

  • Molecular FormulaC15H20N2O2
  • Average mass260.332 Da
  • Monoisotopic mass260.152466 Da
  • ChemSpider ID24618522

More details:






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

1,4-Diazabicyclo[3.2.2]nonane-4-carboxylate de 4-méthylphényle [French] [ACD/IUPAC Name]
1,4-Diazabicyclo[3.2.2]nonane-4-carboxylic acid, 4-methylphenyl ester [ACD/Index Name]
4-Methylphenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate [ACD/IUPAC Name]
4-Methylphenyl-1,4-diazabicyclo[3.2.2]nonan-4-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 383.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 186.0±27.9 °C
Index of Refraction: 1.598
Molar Refractivity: 73.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 14.62
Polar Surface Area: 33 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 216.6±5.0 cm3

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