ChemSpider 2D Image | (4E)-4-{1-[(2-Aminophenyl)amino]butylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one | C20H22N4O

(4E)-4-{1-[(2-Aminophenyl)amino]butylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC20H22N4O
  • Average mass334.415 Da
  • Monoisotopic mass334.179352 Da
  • ChemSpider ID30653828

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-{1-[(2-Aminophenyl)amino]butyliden}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
(4E)-4-{1-[(2-Aminophenyl)amino]butylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4E)-4-{1-[(2-Aminophényl)amino]butylidène}-5-méthyl-2-phényl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 4-[1-[(2-aminophenyl)amino]butylidene]-2,4-dihydro-5-methyl-2-phenyl-, (4E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 470.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.2±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 99.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.47
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 14.01
ACD/KOC (pH 7.4): 155.85
Polar Surface Area: 71 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 281.5±7.0 cm3

Click to predict properties on the Chemicalize site


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