ChemSpider 2D Image | Ethyl 3,5-dinitro-4-(1-piperazinyl)benzoate | C13H16N4O6

Ethyl 3,5-dinitro-4-(1-piperazinyl)benzoate

  • Molecular FormulaC13H16N4O6
  • Average mass324.289 Da
  • Monoisotopic mass324.106995 Da
  • ChemSpider ID21787756

More details:






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

3,5-Dinitro-4-(1-pipérazinyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dinitro-4-(1-piperazinyl)-, ethyl ester [ACD/Index Name]
Ethyl 3,5-dinitro-4-(1-piperazinyl)benzoate [ACD/IUPAC Name]
Ethyl-3,5-dinitro-4-(1-piperazinyl)benzoat [German] [ACD/IUPAC Name]
3,5-Dinitro-4-piperazin-1-yl-benzoic acid ethyl ester
ethyl 3,5-dinitro-4-piperazin-1-ylbenzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 519.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.20
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 22.25
Polar Surface Area: 133 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 235.8±3.0 cm3

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