ChemSpider 2D Image | N-Methyl-N-[(2-{[5-(trifluoromethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]-beta-alanine | C13H16F3N3O4

N-Methyl-N-[(2-{[5-(trifluoromethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]-β-alanine

  • Molecular FormulaC13H16F3N3O4
  • Average mass335.279 Da
  • Monoisotopic mass335.109283 Da
  • ChemSpider ID57889510

More details:

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

N-Methyl-N-[(2-{[5-(trifluormethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]-β-alanin [German] [ACD/IUPAC Name]
N-Methyl-N-[(2-{[5-(trifluoromethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]-β-alanine [ACD/IUPAC Name]
N-Méthyl-N-[(2-{[5-(trifluorométhyl)-2-pyridinyl]oxy}éthyl)carbamoyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-methyl-N-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]amino]carbonyl]- [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: 543.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 282.7±30.1 °C
Index of Refraction: 1.500
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.84
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 247.0±3.0 cm3

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