ChemSpider 2D Image | (4aS,10bR)-4-Propyl-1,3,4,4a,5,10b-hexahydro-2H-chromeno[3,4-b]pyridin-7-ol | C15H21NO2

(4aS,10bR)-4-Propyl-1,3,4,4a,5,10b-hexahydro-2H-chromeno[3,4-b]pyridin-7-ol

  • Molecular FormulaC15H21NO2
  • Average mass247.333 Da
  • Monoisotopic mass247.157227 Da
  • ChemSpider ID23233228

  • 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-hexahydro-2H-chromeno[3,4-b]pyridin-7-ol [ACD/IUPAC Name]
(4aS,10bR)-4-Propyl-1,3,4,4a,5,10b-hexahydro-2H-chromeno[3,4-b]pyridin-7-ol [German] [ACD/IUPAC Name]
(4aS,10bR)-4-Propyl-1,3,4,4a,5,10b-hexahydro-2H-chroméno[3,4-b]pyridin-7-ol [French] [ACD/IUPAC Name]
2H-[1]Benzopyrano[3,4-b]pyridin-7-ol, 1,3,4,4a,5,10b-hexahydro-4-propyl-, (4aS,10bR)- [ACD/Index Name]
1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-8-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 358.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 170.5±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: 2.92
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 23.16
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

Click to predict properties on the Chemicalize site


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