ChemSpider 2D Image | (3R,9aS)-3,9,9-Trimethyl-1,2,3,4,4a,9,9a,10-octahydroacridine | C16H23N

(3R,9aS)-3,9,9-Trimethyl-1,2,3,4,4a,9,9a,10-octahydroacridine

  • Molecular FormulaC16H23N
  • Average mass229.361 Da
  • Monoisotopic mass229.183044 Da
  • ChemSpider ID75578972

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3R,9aS)-3,9,9-Trimethyl-1,2,3,4,4a,9,9a,10-octahydroacridin [German] [ACD/IUPAC Name]
(3R,9aS)-3,9,9-Trimethyl-1,2,3,4,4a,9,9a,10-octahydroacridine [ACD/IUPAC Name]
(3R,9aS)-3,9,9-Triméthyl-1,2,3,4,4a,9,9a,10-octahydroacridine [French] [ACD/IUPAC Name]
Acridine, 1,2,3,4,4a,9,9a,10-octahydro-3,9,9-trimethyl-, (3R,9aS)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 338.8±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 162.7±15.0 °C
Index of Refraction: 1.508
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5370.47
ACD/KOC (pH 5.5): 15197.59
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6811.39
ACD/KOC (pH 7.4): 19275.16
Polar Surface Area: 12 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 242.7±3.0 cm3

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