ChemSpider 2D Image | 5-{[3-(Difluoromethoxy)propyl]amino}-2-pyrazinecarboxylic acid | C9H11F2N3O3

5-{[3-(Difluoromethoxy)propyl]amino}-2-pyrazinecarboxylic acid

  • Molecular FormulaC9H11F2N3O3
  • Average mass247.199 Da
  • Monoisotopic mass247.076843 Da
  • ChemSpider ID57949293

More details:

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

2-Pyrazinecarboxylic acid, 5-[[3-(difluoromethoxy)propyl]amino]- [ACD/Index Name]
5-{[3-(Difluormethoxy)propyl]amino}-2-pyrazincarbonsäure [German] [ACD/IUPAC Name]
5-{[3-(Difluoromethoxy)propyl]amino}-2-pyrazinecarboxylic acid [ACD/IUPAC Name]
Acide 5-{[3-(difluorométhoxy)propyl]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: 417.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 206.6±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: -0.99
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): -2.51
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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