ChemSpider 2D Image | (6aR,10aR)-7-Propyl-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine | C16H20N2O

(6aR,10aR)-7-Propyl-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine

  • Molecular FormulaC16H20N2O
  • Average mass256.343 Da
  • Monoisotopic mass256.157562 Da
  • ChemSpider ID18531396

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-7-Propyl-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazin [German] [ACD/IUPAC Name]
(6aR,10aR)-7-Propyl-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine [ACD/IUPAC Name]
(6aR,10aR)-7-Propyl-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine [French] [ACD/IUPAC Name]
6H-Indolo[3,4-gh][1,4]benzoxazine, 4,6a,7,8,9,10a-hexahydro-7-propyl-, (6aR,10aR)- [ACD/Index Name]
7-Propyl-4,6a,7,8,9,10a-hexahydro-6H-10-oxa-4,7-diaza-acephenanthrylene(RU 29 717)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL333795/
N-propyl-9-oxaergoline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 439.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.6±27.3 °C
Index of Refraction: 1.621
Molar Refractivity: 77.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.68
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 25.93
ACD/KOC (pH 7.4): 237.21
Polar Surface Area: 28 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 219.1±3.0 cm3

Click to predict properties on the Chemicalize site


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