ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate | C19H28N2O2

2-Methyl-2-propanyl (1S,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

  • Molecular FormulaC19H28N2O2
  • Average mass316.438 Da
  • Monoisotopic mass316.215088 Da
  • ChemSpider ID60497760

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5S)-7-Benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1S,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-3-carboxylat [German] [ACD/IUPAC Name]
3,7-Diazabicyclo[3.3.1]nonane-3-carboxylic acid, 7-(phenylmethyl)-, 1,1-dimethylethyl ester, (1S,5S)- [ACD/Index 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: 409.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 201.2±26.8 °C
Index of Refraction: 1.547
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 8.32
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 55.99
ACD/KOC (pH 7.4): 419.23
Polar Surface Area: 33 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 288.3±3.0 cm3

Click to predict properties on the Chemicalize site


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