ChemSpider 2D Image | (4aS,10bR)-4-Propyl-3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol | C14H19NO3

(4aS,10bR)-4-Propyl-3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol

  • Molecular FormulaC14H19NO3
  • Average mass249.306 Da
  • Monoisotopic mass249.136490 Da
  • ChemSpider ID23185390
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4aS,10bR)-4-Propyl-3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol [ACD/IUPAC Name]
(4aS,10bR)-4-Propyl-3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol [German] [ACD/IUPAC Name]
(4aS,10bR)-4-Propyl-3,4,4a,10b-tétrahydro-2H,5H-chroméno[4,3-b][1,4]oxazin-9-ol [French] [ACD/IUPAC Name]
2H,5H-[1]Benzopyrano[4,3-b]-1,4-oxazin-9-ol, 3,4,4a,10b-tetrahydro-4-propyl-, (4aS,10bR)- [ACD/Index Name]
(cis)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol
112960-16-4 [RN]
CHEMBL317493
PD 128907 HCl
PD128907

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

Density: 1.2±0.1 g/cm3
Boiling Point: 389.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 189.0±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: 2.08
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.35
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 16.61
ACD/KOC (pH 7.4): 242.07
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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