ChemSpider 2D Image | N-(2-Acetamidoethyl)-N-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}alanine | C13H17F3N4O4

N-(2-Acetamidoethyl)-N-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}alanine

  • Molecular FormulaC13H17F3N4O4
  • Average mass350.294 Da
  • Monoisotopic mass350.120178 Da
  • ChemSpider ID54417738

More details:

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

Alanine, N-[2-(acetylamino)ethyl]-N-[2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]- [ACD/Index Name]
N-(2-Acetamidoethyl)-N-{[3-(trifluormethyl)-1H-pyrazol-1-yl]acetyl}alanin [German] [ACD/IUPAC Name]
N-(2-Acetamidoethyl)-N-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}alanine [ACD/IUPAC Name]
N-(2-Acétamidoéthyl)-N-{2-[3-(trifluorométhyl)-1H-pyrazol-1-yl]acétyl}alanine [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: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.4±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 77.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 245.9±7.0 cm3

Click to predict properties on the Chemicalize site


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