ChemSpider 2D Image | Isopropyl (2S,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate | C19H27NO2

Isopropyl (2S,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC19H27NO2
  • Average mass301.423 Da
  • Monoisotopic mass301.204193 Da
  • ChemSpider ID98643129

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S,3S)-8-Méthyl-3-(4-méthylphényl)-8-azabicyclo[3.2.1]octane-2-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-methyl-3-(4-methylphenyl)-, 1-methylethyl ester, (2S,3S)- [ACD/Index Name]
Isopropyl (2S,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Isopropyl-(2S,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 123.7±18.8 °C
Index of Refraction: 1.529
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 6.81
Polar Surface Area: 30 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 285.5±3.0 cm3

Click to predict properties on the Chemicalize site


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