ChemSpider 2D Image | cis-tert-Butyl 3,3a,4,5-tetrahydro-1H-pyrrolo[3,4-c]quinoline-2(9bH)-carboxylate | C16H22N2O2

cis-tert-Butyl 3,3a,4,5-tetrahydro-1H-pyrrolo[3,4-c]quinoline-2(9bH)-carboxylate

  • Molecular FormulaC16H22N2O2
  • Average mass274.358 Da
  • Monoisotopic mass274.168121 Da
  • ChemSpider ID57422883

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,9bS)-1,3,3a,4,5,9b-Hexahydro-2H-pyrrolo[3,4-c]quinoléine-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1422344-51-1 [RN]
2H-Pyrrolo[3,4-c]quinoline-2-carboxylic acid, 1,3,3a,4,5,9b-hexahydro-, 1,1-dimethylethyl ester, (3aR,9bS)- [ACD/Index Name]
2-Methyl-2-propanyl (3aR,9bS)-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aR,9bS)-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]chinolin-2-carboxylat [German] [ACD/IUPAC Name]
cis-tert-Butyl 3,3a,4,5-tetrahydro-1H-pyrrolo[3,4-c]quinoline-2(9bH)-carboxylate
MFCD23378317
tert-Butyl cis-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.7±41.0 °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: 191.3±27.6 °C
Index of Refraction: 1.545
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 146.66
ACD/KOC (pH 5.5): 1212.76
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.97
ACD/KOC (pH 7.4): 1297.98
Polar Surface Area: 42 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 244.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement