ChemSpider 2D Image | 3-Amino-2-[(3,5-diethynylphenyl)ethynyl]benzonitrile | C19H10N2

3-Amino-2-[(3,5-diethynylphenyl)ethynyl]benzonitrile

  • Molecular FormulaC19H10N2
  • Average mass266.296 Da
  • Monoisotopic mass266.084412 Da
  • ChemSpider ID84890811

More details:

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

3-Amino-2-[(3,5-diethinylphenyl)ethinyl]benzonitril [German] [ACD/IUPAC Name]
3-Amino-2-[(3,5-diethynylphenyl)ethynyl]benzonitrile [ACD/IUPAC Name]
3-Amino-2-[(3,5-diéthynylphényl)éthynyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-amino-2-[2-(3,5-diethynylphenyl)ethynyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.2±30.1 °C
Index of Refraction: 1.684
Molar Refractivity: 81.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 353.58
ACD/KOC (pH 5.5): 2321.71
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 353.61
ACD/KOC (pH 7.4): 2321.86
Polar Surface Area: 50 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 213.6±5.0 cm3

Click to predict properties on the Chemicalize site


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