ChemSpider 2D Image | 4-{[3-(Difluoromethoxy)-2-pyrazinyl]amino}butanoic acid | C9H11F2N3O3

4-{[3-(Difluoromethoxy)-2-pyrazinyl]amino}butanoic acid

  • Molecular FormulaC9H11F2N3O3
  • Average mass247.199 Da
  • Monoisotopic mass247.076843 Da
  • ChemSpider ID57945494

More details:

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

4-{[3-(Difluormethoxy)-2-pyrazinyl]amino}butansäure [German] [ACD/IUPAC Name]
4-{[3-(Difluoromethoxy)-2-pyrazinyl]amino}butanoic acid [ACD/IUPAC Name]
Acide 4-{[3-(difluorométhoxy)-2-pyrazinyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[3-(difluoromethoxy)-2-pyrazinyl]amino]- [ACD/Index 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: 393.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 191.8±27.9 °C
Index of Refraction: 1.536
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.61
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 174.8±3.0 cm3

Click to predict properties on the Chemicalize site


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