ChemSpider 2D Image | 5-(2-Propyn-1-yl)-5H-dibenzo[b,f]azepine | C17H13N

5-(2-Propyn-1-yl)-5H-dibenzo[b,f]azepine

  • Molecular FormulaC17H13N
  • Average mass231.292 Da
  • Monoisotopic mass231.104797 Da
  • ChemSpider ID30657635

More details:

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

5-(2-Propin-1-yl)-5H-dibenzo[b,f]azepin [German] [ACD/IUPAC Name]
5-(2-Propyn-1-yl)-5H-dibenzo[b,f]azepine [ACD/IUPAC Name]
5-(2-Propyn-1-yl)-5H-dibenzo[b,f]azépine [French] [ACD/IUPAC Name]
5H-Dibenz[b,f]azepine, 5-(2-propyn-1-yl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 375.9±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 162.8±21.7 °C
Index of Refraction: 1.631
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1558.53
ACD/KOC (pH 5.5): 6713.40
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1558.53
ACD/KOC (pH 7.4): 6713.42
Polar Surface Area: 3 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 206.0±3.0 cm3

Click to predict properties on the Chemicalize site


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