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

4-(4-Ethyl-1-piperazinyl)-3,5-dinitrobenzoic acid

  • Molecular FormulaC13H16N4O6
  • Average mass324.289 Da
  • Monoisotopic mass324.106995 Da
  • ChemSpider ID21787735

More details:






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

4-(4-Ethyl-1-piperazinyl)-3,5-dinitrobenzoesäure [German] [ACD/IUPAC Name]
4-(4-Ethyl-1-piperazinyl)-3,5-dinitrobenzoic acid [ACD/IUPAC Name]
Acide 4-(4-éthyl-1-pipérazinyl)-3,5-dinitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-ethyl-1-piperazinyl)-3,5-dinitro- [ACD/Index Name]
4-(4-ethylpiperazin-1-yl)-3,5-dinitrobenzoic acid
4-(4-Ethyl-piperazin-1-yl)-3,5-dinitro-benzoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 501.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 257.3±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 135 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 226.5±3.0 cm3

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