ChemSpider 2D Image | Ethyl (3aR,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate | C9H16N2O2

Ethyl (3aR,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

  • Molecular FormulaC9H16N2O2
  • Average mass184.236 Da
  • Monoisotopic mass184.121185 Da
  • ChemSpider ID32802707

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aS)-Hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (3aR,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate [ACD/IUPAC Name]
Ethyl-(3aR,6aS)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, ethyl ester, (3aR,6aS)- [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: 277.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 121.3±19.8 °C
Index of Refraction: 1.499
Molar Refractivity: 48.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 42 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 164.2±3.0 cm3

Click to predict properties on the Chemicalize site


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