ChemSpider 2D Image | (4aS,10bS)-4-(~2~H_7_)Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol | C15H14D7NO2

(4aS,10bS)-4-(2H7)Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol

  • Molecular FormulaC15H14D7NO2
  • Average mass254.376 Da
  • Monoisotopic mass254.201172 Da
  • ChemSpider ID78361997

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4aS,10bS)-4-(2H7)Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol [German] [ACD/IUPAC Name]
(4aS,10bS)-4-(2H7)Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol [ACD/IUPAC Name]
(4aS,10bS)-4-(2H7)Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphto[1,2-b][1,4]oxazin-9-ol [French] [ACD/IUPAC Name]
2H-Naphth[1,2-b]-1,4-oxazin-9-ol, 3,4,4a,5,6,10b-hexahydro-4-(propyl-d7)-, (4aS,10bS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
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: 1.553
Molar Refractivity: 71.3±0.3 cm3
#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: 33 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 222.9±3.0 cm3

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