ChemSpider 2D Image | (1R,5R)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane | C23H27NO

(1R,5R)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC23H27NO
  • Average mass333.467 Da
  • Monoisotopic mass333.209259 Da
  • ChemSpider ID32699134

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(1R,5R)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1R,5R)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulén-5-yloxy)-8-méthyl-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, (1R,5R)- [ACD/Index Name]
210-069-0 [EINECS]
604-51-3 [RN]
deptropine [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 446.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 130.4±31.0 °C
Index of Refraction: 1.626
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 2.84
ACD/KOC (pH 5.5): 9.69
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 5.55
ACD/KOC (pH 7.4): 18.95
Polar Surface Area: 12 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 287.5±5.0 cm3

Click to predict properties on the Chemicalize site


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