ChemSpider 2D Image | 3-[(4-Ethoxybenzyl)amino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid | C19H16F3N3O3

3-[(4-Ethoxybenzyl)amino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid

  • Molecular FormulaC19H16F3N3O3
  • Average mass391.344 Da
  • Monoisotopic mass391.114380 Da
  • ChemSpider ID35034288

More details:






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

2-Quinoxalinecarboxylic acid, 3-[[(4-ethoxyphenyl)methyl]amino]-6-(trifluoromethyl)- [ACD/Index Name]
3-[(4-Ethoxybenzyl)amino]-6-(trifluormethyl)-2-chinoxalincarbonsäure [German] [ACD/IUPAC Name]
3-[(4-Ethoxybenzyl)amino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid [ACD/IUPAC Name]
3-[(4-Ethoxybenzyl)amino]-6-(Trifluoromethyl)quinoxaline-2-Carboxylic Acid
Acide 3-[(4-éthoxybenzyl)amino]-6-(trifluorométhyl)-2-quinoxalinecarboxylique [French] [ACD/IUPAC Name]
R58

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

Density: 1.4±0.1 g/cm3
Boiling Point: 518.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.5±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 44.81
ACD/KOC (pH 5.5): 108.68
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 8.79
ACD/KOC (pH 7.4): 21.31
Polar Surface Area: 84 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 276.7±3.0 cm3

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