ChemSpider 2D Image | 2-Anilino-4-phenyl-5-pyrimidinecarbonitrile | C17H12N4

2-Anilino-4-phenyl-5-pyrimidinecarbonitrile

  • Molecular FormulaC17H12N4
  • Average mass272.304 Da
  • Monoisotopic mass272.106201 Da
  • ChemSpider ID13265404

More details:

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

2-Anilino-4-phenyl-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
2-Anilino-4-phenyl-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
2-Anilino-4-phényl-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-phenyl-2-(phenylamino)- [ACD/Index Name]
4-phenyl-2-(phenylamino)pyrimidine-5-carbonitrile
CHEMBL411829
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL411829/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.0±30.7 °C
Index of Refraction: 1.675
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.84
ACD/KOC (pH 5.5): 2180.24
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 323.85
ACD/KOC (pH 7.4): 2180.24
Polar Surface Area: 62 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 212.9±5.0 cm3

Click to predict properties on the Chemicalize site


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