ChemSpider 2D Image | 1-[3-(4-Isopropylphenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]-1-propanone | C20H29NO

1-[3-(4-Isopropylphenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]-1-propanone

  • Molecular FormulaC20H29NO
  • Average mass299.450 Da
  • Monoisotopic mass299.224915 Da
  • ChemSpider ID23121202

More details:

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

1-[3-(4-Isopropylphenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]-1-propanon [German] [ACD/IUPAC Name]
1-[3-(4-Isopropylphenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]-1-propanone [ACD/IUPAC Name]
1-[3-(4-Isopropylphényl)-8-méthyl-8-azabicyclo[3.2.1]oct-2-yl]-1-propanone [French] [ACD/IUPAC Name]
1-{8-methyl-3-[4-(propan-2-yl)phenyl]-8-azabicyclo[3.2.1]oct-2-yl}propan-1-one
1-Propanone, 1-[8-methyl-3-[4-(1-methylethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-yl]- [ACD/Index Name]
1-[3-(4-Isopropyl-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL278122/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 407.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 140.0±18.1 °C
Index of Refraction: 1.527
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.66
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 10.95
Polar Surface Area: 20 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 296.0±3.0 cm3

Click to predict properties on the Chemicalize site


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