ChemSpider 2D Image | Benzyl (3aS,6aS)-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate | C14H18N2O2

Benzyl (3aS,6aS)-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

  • Molecular FormulaC14H18N2O2
  • Average mass246.305 Da
  • Monoisotopic mass246.136826 Da
  • ChemSpider ID113607375

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aS)-Hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl (3aS,6aS)-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
Benzyl-(3aS,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-, phenylmethyl ester, (3aS,6aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 385.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.9±27.9 °C
Index of Refraction: 1.567
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.40
Polar Surface Area: 42 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 208.4±3.0 cm3

Click to predict properties on the Chemicalize site


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