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

Ethyl 4-(4-methyl-1-piperazinyl)-3,5-dinitrobenzoate

  • Molecular FormulaC14H18N4O6
  • Average mass338.316 Da
  • Monoisotopic mass338.122620 Da
  • ChemSpider ID21787743

More details:

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

4-(4-Méthyl-1-pipérazinyl)-3,5-dinitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-methyl-1-piperazinyl)-3,5-dinitro-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-methyl-1-piperazinyl)-3,5-dinitrobenzoate [ACD/IUPAC Name]
Ethyl-4-(4-methyl-1-piperazinyl)-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
4-(4-Methyl-piperazin-1-yl)-3,5-dinitro-benzoic acid ethyl ester
ethyl 4-(4-methylpiperazin-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: 494.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 253.1±28.7 °C
Index of Refraction: 1.586
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): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.53
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 21.90
ACD/KOC (pH 7.4): 281.86
Polar Surface Area: 124 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 250.8±3.0 cm3

Click to predict properties on the Chemicalize site


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