ChemSpider 2D Image | 3-[(4aR,7aR)-1,4a-Dimethyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-4-yl]phenol | C16H21NO

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

  • Molecular FormulaC16H21NO
  • Average mass243.344 Da
  • Monoisotopic mass243.162308 Da
  • ChemSpider ID23240506

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(4aR,7aR)-1,4a-Dimethyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-4-yl]phenol [ACD/IUPAC Name]
3-[(4aR,7aR)-1,4a-Dimethyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-4-yl]phenol [German] [ACD/IUPAC Name]
3-[(4aR,7aR)-1,4a-Diméthyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-4-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-[(4aR,7aR)-2,4a,5,6,7,7a-hexahydro-1,4a-dimethyl-1H-cyclopenta[b]pyridin-4-yl]- [ACD/Index Name]
107383-38-0 [RN]
3-(1,4a-Dimethyl-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: 382.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 186.2±26.5 °C
Index of Refraction: 1.584
Molar Refractivity: 73.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 53.72
Polar Surface Area: 23 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 220.4±3.0 cm3

Click to predict properties on the Chemicalize site


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