ChemSpider 2D Image | (4E)-4-(1-Anilinopropylidene)-2-hexyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one | C19H27N3O

(4E)-4-(1-Anilinopropylidene)-2-hexyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC19H27N3O
  • Average mass313.437 Da
  • Monoisotopic mass313.215424 Da
  • ChemSpider ID30652399

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(1-Anilinopropyliden)-2-hexyl-5-methyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
(4E)-4-(1-Anilinopropylidene)-2-hexyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4E)-4-(1-Anilinopropylidène)-2-hexyl-5-méthyl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 2-hexyl-2,4-dihydro-5-methyl-4-[1-(phenylamino)propylidene]-, (4E)- [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: 408.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 200.9±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 13.27
ACD/KOC (pH 5.5): 60.02
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 24.48
ACD/KOC (pH 7.4): 110.70
Polar Surface Area: 45 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 296.3±7.0 cm3

Click to predict properties on the Chemicalize site


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