ChemSpider 2D Image | (4aR,10bR)-4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine-9-carboxamide | C16H22N2O2

(4aR,10bR)-4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine-9-carboxamide

  • Molecular FormulaC16H22N2O2
  • Average mass274.358 Da
  • Monoisotopic mass274.168121 Da
  • ChemSpider ID21259074

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,10bR)-4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-carboxamid [German] [ACD/IUPAC Name]
(4aR,10bR)-4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine-9-carboxamide [ACD/IUPAC Name]
(4aR,10bR)-4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphto[1,2-b][1,4]oxazine-9-carboxamide [French] [ACD/IUPAC Name]
2H-Naphth[1,2-b]-1,4-oxazine-9-carboxamide, 3,4,4a,5,6,10b-hexahydro-4-propyl-, (4aR,10bR)- [ACD/Index Name]
220932-70-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL484599/
S-32504
S32504 (+)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 412.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 203.4±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 6.87
ACD/KOC (pH 7.4): 108.96
Polar Surface Area: 56 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 243.1±3.0 cm3

Click to predict properties on the Chemicalize site


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