ChemSpider 2D Image | (2Z)-3-(9-Anthryl)-2-[(4-phenyl-1-piperazinyl)carbonyl]acrylonitrile | C28H23N3O

(2Z)-3-(9-Anthryl)-2-[(4-phenyl-1-piperazinyl)carbonyl]acrylonitrile

  • Molecular FormulaC28H23N3O
  • Average mass417.502 Da
  • Monoisotopic mass417.184113 Da
  • ChemSpider ID81171001

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(9-Anthryl)-2-[(4-phenyl-1-piperazinyl)carbonyl]acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-(9-Anthryl)-2-[(4-phenyl-1-piperazinyl)carbonyl]acrylonitrile [ACD/IUPAC Name]
(2Z)-3-(9-Anthryl)-2-[(4-phényl-1-pipérazinyl)carbonyl]acrylonitrile [French] [ACD/IUPAC Name]
1-Piperazinepropanenitrile, α-(9-anthracenylmethylene)-β-oxo-4-phenyl-, (αZ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.3±32.9 °C
Index of Refraction: 1.716
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6902.47
ACD/KOC (pH 5.5): 19467.43
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6915.85
ACD/KOC (pH 7.4): 19505.15
Polar Surface Area: 47 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 330.8±3.0 cm3

Click to predict properties on the Chemicalize site


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