ChemSpider 2D Image | (4aR,10bR)-9-Hydroxy-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-4-ium | C15H22NO2

(4aR,10bR)-9-Hydroxy-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-4-ium

  • Molecular FormulaC15H22NO2
  • Average mass248.340 Da
  • Monoisotopic mass248.164505 Da
  • ChemSpider ID128920109

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,10bR)-9-Hydroxy-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-4-ium [German] [ACD/IUPAC Name]
(4aR,10bR)-9-Hydroxy-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-4-ium [ACD/IUPAC Name]
(4aR,10bR)-9-Hydroxy-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphto[1,2-b][1,4]oxazin-4-ium [French] [ACD/IUPAC Name]
2H-Naphth[1,2-b]-1,4-oxazin-9-ol, 3,4,4a,5,6,10b-hexahydro-4-propyl-, conjugate acid, (4aR,10bR)- [ACD/Index Name]
naxagolide cation
naxagolide(1+)
  • Miscellaneous

    • Chemical Class:

      A tertiary ammonium ion that is the conjugate acid of naxagolide arising from the protonation of the tertiary amino group. Major microspecies at pH 7.3. ChEBI CHEBI:177380

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

Density:
Boiling Point: 391.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 190.7±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.43
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 13.94
ACD/KOC (pH 7.4): 164.99
Polar Surface Area: 34 Å2
Polarizability:
Surface Tension:
Molar Volume:

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