ChemSpider 2D Image | N-[3-(Difluoromethoxy)-2-pyrazinyl]-N-methyl-beta-alanine | C9H11F2N3O3

N-[3-(Difluoromethoxy)-2-pyrazinyl]-N-methyl-β-alanine

  • Molecular FormulaC9H11F2N3O3
  • Average mass247.199 Da
  • Monoisotopic mass247.076843 Da
  • ChemSpider ID57947354

More details:

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

N-[3-(Difluormethoxy)-2-pyrazinyl]-N-methyl-β-alanin [German] [ACD/IUPAC Name]
N-[3-(Difluoromethoxy)-2-pyrazinyl]-N-methyl-β-alanine [ACD/IUPAC Name]
N-[3-(Difluorométhoxy)-2-pyrazinyl]-N-méthyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[3-(difluoromethoxy)-2-pyrazinyl]-N-methyl- [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: 332.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 154.9±27.9 °C
Index of Refraction: 1.529
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.34
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 176.8±3.0 cm3

Click to predict properties on the Chemicalize site


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