ChemSpider 2D Image | (4aR,5S,9bR)-5-Phenyl-1-propyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine | C21H25N

(4aR,5S,9bR)-5-Phenyl-1-propyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

  • Molecular FormulaC21H25N
  • Average mass291.430 Da
  • Monoisotopic mass291.198700 Da
  • ChemSpider ID23236003

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aR,5S,9bR)-5-Phenyl-1-propyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin [German] [ACD/IUPAC Name]
(4aR,5S,9bR)-5-Phenyl-1-propyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine [ACD/IUPAC Name]
(4aR,5S,9bR)-5-Phényl-1-propyl-2,3,4,4a,5,9b-hexahydro-1H-indéno[1,2-b]pyridine [French] [ACD/IUPAC Name]
1H-Indeno[1,2-b]pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4aR,5S,9bR)- [ACD/Index Name]
(-)-5-Phenyl-1-propyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
(+)-5-Phenyl-1-propyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
(±)-5-Phenyl-1-propyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL353083/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 403.0±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 176.4±19.8 °C
Index of Refraction: 1.574
Molar Refractivity: 92.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 5.31
ACD/KOC (pH 5.5): 16.34
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 102.83
ACD/KOC (pH 7.4): 316.46
Polar Surface Area: 3 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 279.8±3.0 cm3

Click to predict properties on the Chemicalize site


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