ChemSpider 2D Image | 2,5-Bis(2-phenylethyl)-1H-pyrrole-3-carbonitrile | C21H20N2

2,5-Bis(2-phenylethyl)-1H-pyrrole-3-carbonitrile

  • Molecular FormulaC21H20N2
  • Average mass300.397 Da
  • Monoisotopic mass300.162659 Da
  • ChemSpider ID30775542

More details:

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

1H-Pyrrole-3-carbonitrile, 2,5-bis(2-phenylethyl)- [ACD/Index Name]
2,5-Bis(2-phenylethyl)-1H-pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
2,5-Bis(2-phenylethyl)-1H-pyrrole-3-carbonitrile [ACD/IUPAC Name]
2,5-Bis(2-phényléthyl)-1H-pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]
2,5-Diphenethyl-1H-pyrrole-3-carbonitrile
857420-96-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 142.5±12.5 °C
Index of Refraction: 1.623
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6446.02
ACD/KOC (pH 5.5): 18547.37
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6446.02
ACD/KOC (pH 7.4): 18547.37
Polar Surface Area: 40 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 264.3±5.0 cm3

Click to predict properties on the Chemicalize site


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