ChemSpider 2D Image | 5-{[2-(2,2-Difluoroethoxy)ethyl]amino}-2-pyrazinecarboxylic acid | C9H11F2N3O3

5-{[2-(2,2-Difluoroethoxy)ethyl]amino}-2-pyrazinecarboxylic acid

  • Molecular FormulaC9H11F2N3O3
  • Average mass247.199 Da
  • Monoisotopic mass247.076843 Da
  • ChemSpider ID56829343

More details:

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

2-Pyrazinecarboxylic acid, 5-[[2-(2,2-difluoroethoxy)ethyl]amino]- [ACD/Index Name]
5-{[2-(2,2-Difluorethoxy)ethyl]amino}-2-pyrazincarbonsäure [German] [ACD/IUPAC Name]
5-{[2-(2,2-Difluoroethoxy)ethyl]amino}-2-pyrazinecarboxylic acid [ACD/IUPAC Name]
Acide 5-{[2-(2,2-difluoroéthoxy)éthyl]amino}-2-pyrazinecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 443.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 222.0±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 175.0±3.0 cm3

Click to predict properties on the Chemicalize site


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