ChemSpider 2D Image | 2-[4-(3,5-Dinitrobenzoyl)-1-piperazinyl]ethyl cyclohexylcarbamate | C20H27N5O7

2-[4-(3,5-Dinitrobenzoyl)-1-piperazinyl]ethyl cyclohexylcarbamate

  • Molecular FormulaC20H27N5O7
  • Average mass449.458 Da
  • Monoisotopic mass449.191040 Da
  • ChemSpider ID59106653

More details:

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

2-[4-(3,5-Dinitrobenzoyl)-1-piperazinyl]ethyl cyclohexylcarbamate [ACD/IUPAC Name]
2-[4-(3,5-Dinitrobenzoyl)-1-piperazinyl]ethyl-cyclohexylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-cyclohexyl-, 2-[4-(3,5-dinitrobenzoyl)-1-piperazinyl]ethyl ester [ACD/Index Name]
Cyclohexylcarbamate de 2-[4-(3,5-dinitrobenzoyl)-1-pipérazinyl]éthyle [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: 648.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 112.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 8.69
ACD/KOC (pH 5.5): 129.99
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.23
ACD/KOC (pH 7.4): 287.55
Polar Surface Area: 154 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 324.7±5.0 cm3

Click to predict properties on the Chemicalize site


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