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ChemSpider 2D Image | (2Z)-3-(Dimethylamino)-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acrylonitrile | C15H16N4

(2Z)-3-(Dimethylamino)-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acrylonitrile

  • Molecular FormulaC15H16N4
  • Average mass252.314 Da
  • Monoisotopic mass252.137497 Da
  • ChemSpider ID30836774

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(Dimethylamino)-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-(Dimethylamino)-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acrylonitrile [ACD/IUPAC Name]
(2Z)-3-(Diméthylamino)-2-[5-(4-méthylphényl)-1H-pyrazol-3-yl]acrylonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-3-acetonitrile, α-[(dimethylamino)methylene]-5-(4-methylphenyl)-, (αZ)- [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: 579.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.4±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.76
ACD/KOC (pH 5.5): 756.07
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.77
ACD/KOC (pH 7.4): 756.21
Polar Surface Area: 56 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 220.5±3.0 cm3

Click to predict properties on the Chemicalize site


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