ChemSpider 2D Image | Methyl 4-(4-ethyl-1-piperazinyl)-3,5-dinitrobenzoate | C14H18N4O6

Methyl 4-(4-ethyl-1-piperazinyl)-3,5-dinitrobenzoate

  • Molecular FormulaC14H18N4O6
  • Average mass338.316 Da
  • Monoisotopic mass338.122620 Da
  • ChemSpider ID21787744

More details:

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

4-(4-Éthyl-1-pipérazinyl)-3,5-dinitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-ethyl-1-piperazinyl)-3,5-dinitro-, methyl ester [ACD/Index Name]
Methyl 4-(4-ethyl-1-piperazinyl)-3,5-dinitrobenzoate [ACD/IUPAC Name]
Methyl-4-(4-ethyl-1-piperazinyl)-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
4-(4-Ethyl-piperazin-1-yl)-3,5-dinitro-benzoic acid methyl ester
methyl 4-(4-ethylpiperazin-1-yl)-3,5-dinitrobenzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 495.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.3±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.55
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 12.49
ACD/KOC (pH 7.4): 160.70
Polar Surface Area: 124 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 251.9±3.0 cm3

Click to predict properties on the Chemicalize site


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