ChemSpider 2D Image | 4-Phenyl-1-(2-propyn-1-yl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one | C18H14N2O

4-Phenyl-1-(2-propyn-1-yl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

  • Molecular FormulaC18H14N2O
  • Average mass274.317 Da
  • Monoisotopic mass274.110626 Da
  • ChemSpider ID30656887

More details:

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

2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-phenyl-1-(2-propyn-1-yl)- [ACD/Index Name]
4-Phenyl-1-(2-propin-1-yl)-1,3-dihydro-2H-1,5-benzodiazepin-2-on [German] [ACD/IUPAC Name]
4-Phenyl-1-(2-propyn-1-yl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one [ACD/IUPAC Name]
4-Phényl-1-(2-propyn-1-yl)-1,3-dihydro-2H-1,5-benzodiazépin-2-one [French] [ACD/IUPAC 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: 488.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.3±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 85.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.53
ACD/KOC (pH 5.5): 608.96
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.60
ACD/KOC (pH 7.4): 609.64
Polar Surface Area: 33 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 248.7±7.0 cm3

Click to predict properties on the Chemicalize site


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