ChemSpider 2D Image | (2E)-3-[1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-ethyl-N-isobutylacrylamide | C21H28ClN3O

(2E)-3-[1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-ethyl-N-isobutylacrylamide

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID31063021

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[1-(2-Chlorbenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-ethyl-N-isobutylacrylamid [German] [ACD/IUPAC Name]
(2E)-3-[1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-ethyl-N-isobutylacrylamide [ACD/IUPAC Name]
(2E)-3-[1-(2-Chlorobenzyl)-3,5-diméthyl-1H-pyrazol-4-yl]-N-éthyl-N-isobutylacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl]-N-ethyl-N-(2-methylpropyl)-, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 541.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.3±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2123.58
ACD/KOC (pH 5.5): 8376.63
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2124.30
ACD/KOC (pH 7.4): 8379.48
Polar Surface Area: 38 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 36.4±7.0 dyne/cm
Molar Volume: 342.1±7.0 cm3

Click to predict properties on the Chemicalize site


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