ChemSpider 2D Image | N-Methyl-N-({[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl}carbamoyl)-beta-alanine | C13H16F3N3O4

N-Methyl-N-({[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl}carbamoyl)-β-alanine

  • Molecular FormulaC13H16F3N3O4
  • Average mass335.279 Da
  • Monoisotopic mass335.109283 Da
  • ChemSpider ID57896935

More details:

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

N-Methyl-N-({[3-(2,2,2-trifluorethoxy)-4-pyridinyl]methyl}carbamoyl)-β-alanin [German] [ACD/IUPAC Name]
N-Methyl-N-({[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl}carbamoyl)-β-alanine [ACD/IUPAC Name]
N-Méthyl-N-({[3-(2,2,2-trifluoroéthoxy)-4-pyridinyl]méthyl}carbamoyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-methyl-N-[[[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]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: 544.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 282.8±30.1 °C
Index of Refraction: 1.506
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.18
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 246.2±3.0 cm3

Click to predict properties on the Chemicalize site


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