ChemSpider 2D Image | 2-Methyl-2-propanyl (4aS,7aS)-6-benzyloctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate | C19H28N2O2

2-Methyl-2-propanyl (4aS,7aS)-6-benzyloctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate

  • Molecular FormulaC19H28N2O2
  • Average mass316.438 Da
  • Monoisotopic mass316.215088 Da
  • ChemSpider ID29786562

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,7aS)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[3,4-b]pyridine-1-carboxylic acid, octahydro-6-(phenylmethyl)-, 1,1-dimethylethyl ester, (4aS,7aS)- [ACD/Index Name]
2-Methyl-2-propanyl (4aS,7aS)-6-benzyloctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4aS,7aS)-6-benzyloctahydro-1H-pyrrolo[3,4-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
(1RS,6RS)-8-Benzyl-2,8-diazabicyclo[4.3.0]nonane-2-carboxylic acid tert-butyl ester

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±28.0 °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±24.0 °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: 3.24
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.68
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 12.60
ACD/KOC (pH 7.4): 89.24
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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