ChemSpider 2D Image | 3-[(4aR,7aR)-4a-Ethyl-1-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-4-yl]phenol | C17H23NO

3-[(4aR,7aR)-4a-Ethyl-1-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-4-yl]phenol

  • Molecular FormulaC17H23NO
  • Average mass257.371 Da
  • Monoisotopic mass257.177979 Da
  • ChemSpider ID23240845

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(4aR,7aR)-4a-Ethyl-1-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-4-yl]phenol [ACD/IUPAC Name]
3-[(4aR,7aR)-4a-Ethyl-1-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-4-yl]phenol [German] [ACD/IUPAC Name]
3-[(4aR,7aR)-4a-Éthyl-1-méthyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-4-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-[(4aR,7aR)-4a-ethyl-2,4a,5,6,7,7a-hexahydro-1-methyl-1H-cyclopenta[b]pyridin-4-yl]- [ACD/Index Name]
3-(4a-Ethyl-1-methyl-2,4a,5,6,7,7a-hexahydro-1H-[1]pyrindin-4-yl)-phenol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 395.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 190.0±26.5 °C
Index of Refraction: 1.573
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.44
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 11.85
ACD/KOC (pH 7.4): 91.03
Polar Surface Area: 23 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 238.0±3.0 cm3

Click to predict properties on the Chemicalize site


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