ChemSpider 2D Image | 4,4',4''-Nitrilotribenzonitrile | C21H12N4

4,4',4''-Nitrilotribenzonitrile

  • Molecular FormulaC21H12N4
  • Average mass320.347 Da
  • Monoisotopic mass320.106201 Da
  • ChemSpider ID26667088

More details:

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

4,4',4''-Nitrilotribenzonitril [German] [ACD/IUPAC Name]
4,4',4''-Nitrilotribenzonitrile [ACD/IUPAC Name]
4,4',4''-Nitrilotribenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4,4',4''-nitrilotris- [ACD/Index Name]
4-(4-cyano-N-(4-cyanophenyl)anilino)benzonitrile
4-[bis(4-cyanophenyl)amino]benzonitrile
51545-36-9 [RN]
MFCD20265033
tris-(4-cyanophenyl)amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 570.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 256.6±18.0 °C
Index of Refraction: 1.690
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2039.42
ACD/KOC (pH 5.5): 8138.44
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2039.42
ACD/KOC (pH 7.4): 8138.44
Polar Surface Area: 75 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 245.2±5.0 cm3

Click to predict properties on the Chemicalize site


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