ChemSpider 2D Image | 5,6-Dehydrolupanine | C15H22N2O

5,6-Dehydrolupanine

  • Molecular FormulaC15H22N2O
  • Average mass246.348 Da
  • Monoisotopic mass246.173218 Da
  • ChemSpider ID24536327

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(9α)-5,6-Didehydrospartein-2-one
5,6-Dehydrolupanine
5,6-Didehydrospartein-2-on [German] [ACD/IUPAC Name]
5,6-Didehydrospartein-2-one [ACD/IUPAC Name]
5,6-Didéhydrospartéin-2-one [French] [ACD/IUPAC Name]
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one, 1,3,4,6,7,9,10,13,14,14a-decahydro-, (14aS)- [ACD/Index Name]
32101-29-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 434.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 200.1±20.8 °C
Index of Refraction: 1.604
Molar Refractivity: 70.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 24 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 205.9±5.0 cm3

Click to predict properties on the Chemicalize site


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