ChemSpider 2D Image | PD-128,907 | C14H19NO3

PD-128,907

  • Molecular FormulaC14H19NO3
  • Average mass249.306 Da
  • Monoisotopic mass249.136490 Da
  • ChemSpider ID23180492
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4aS,10bR)-4-Propyl-1,3,4,4a,5,10b-hexahydrochromeno[3,4-d][1,3]oxazin-9-ol [ACD/IUPAC Name]
(4aS,10bR)-4-Propyl-1,3,4,4a,5,10b-hexahydrochromeno[3,4-d][1,3]oxazin-9-ol [German] [ACD/IUPAC Name]
(4aS,10bR)-4-Propyl-1,3,4,4a,5,10b-hexahydrochroméno[3,4-d][1,3]oxazin-9-ol [French] [ACD/IUPAC Name]
[1]Benzopyrano[3,4-d][1,3]oxazin-9-ol, 1,3,4,4a,5,10b-hexahydro-4-propyl-, (4aS,10bR)- [ACD/Index Name]
123594-64-9 [RN]
PD-128,907 [Wiki]
PD-128907
(4aR,10aS)-1-Propyl-1,2,4,4a,10,10a-hexahydro-3,9-dioxa-1-aza-phenanthren-6-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 391.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 190.8±27.9 °C
Index of Refraction: 1.552
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 6.49
ACD/KOC (pH 5.5): 85.58
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 28.96
ACD/KOC (pH 7.4): 382.14
Polar Surface Area: 42 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 213.9±3.0 cm3

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