ChemSpider 2D Image | 3-[(12aR)-2-Methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a(2H)-yl]phenol | C23H24N2O

3-[(12aR)-2-Methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a(2H)-yl]phenol

  • Molecular FormulaC23H24N2O
  • Average mass344.449 Da
  • Monoisotopic mass344.188873 Da
  • ChemSpider ID95601338

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-[(12aR)-2-Methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a(2H)-yl]phenol [German] [ACD/IUPAC Name]
3-[(12aR)-2-Methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a(2H)-yl]phenol [ACD/IUPAC Name]
3-[(12aR)-2-Méthyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a(2H)-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-[(12aR)-1,3,4,5,12,12a-hexahydro-2-methylpyrido[3,4-b]acridin-4a(2H)-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 273.3±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 14.56
Polar Surface Area: 36 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 284.0±3.0 cm3

Click to predict properties on the Chemicalize site


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