ChemSpider 2D Image | (2aS)-2a-Ethyl-2a,3,4,6-tetrahydro-1H-pyrrolizino[1,7-ef][1]benzazonine-1,5(2H)-dione | C18H18N2O2

(2aS)-2a-Ethyl-2a,3,4,6-tetrahydro-1H-pyrrolizino[1,7-ef][1]benzazonine-1,5(2H)-dione

  • Molecular FormulaC18H18N2O2
  • Average mass294.348 Da
  • Monoisotopic mass294.136841 Da
  • ChemSpider ID30811301

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2aS)-2a-Ethyl-2a,3,4,6-tetrahydro-1H-pyrrolizino[1,7-ef][1]benzazonin-1,5(2H)-dion [German] [ACD/IUPAC Name]
(2aS)-2a-Ethyl-2a,3,4,6-tetrahydro-1H-pyrrolizino[1,7-ef][1]benzazonine-1,5(2H)-dione [ACD/IUPAC Name]
(2aS)-2a-Éthyl-2a,3,4,6-tétrahydro-1H-pyrrolizino[1,7-ef][1]benzazonine-1,5(2H)-dione [French] [ACD/IUPAC Name]
1H-Pyrrilizino[1,7-ef][1]benzazonine-1,5(2H)-dione, 2a-ethyl-2a,3,4,6-tetrahydro-, (2aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 548.1±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±28.2 °C
Index of Refraction: 1.681
Molar Refractivity: 84.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 255.80
ACD/KOC (pH 5.5): 1841.51
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 255.80
ACD/KOC (pH 7.4): 1841.55
Polar Surface Area: 51 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 222.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement