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Search term: PUPGJYMCKJSMEO (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-(Diethylamino)-3,5-dinitrobenzoic acid | C11H13N3O6

4-(Diethylamino)-3,5-dinitrobenzoic acid

  • Molecular FormulaC11H13N3O6
  • Average mass283.237 Da
  • Monoisotopic mass283.080444 Da
  • ChemSpider ID21787732

More details:






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

4-(Diethylamino)-3,5-dinitrobenzoesäure [German] [ACD/IUPAC Name]
4-(Diethylamino)-3,5-dinitrobenzoic acid [ACD/IUPAC Name]
Acide 4-(diéthylamino)-3,5-dinitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(diethylamino)-3,5-dinitro- [ACD/Index Name]
4-Diethylamino-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: 441.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 220.8±28.7 °C
Index of Refraction: 1.629
Molar Refractivity: 69.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.06
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 196.7±3.0 cm3

Click to predict properties on the Chemicalize site






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