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

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

  • Molecular FormulaC14H18N2O2
  • Average mass246.305 Da
  • Monoisotopic mass246.136826 Da
  • ChemSpider ID58170828

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aS)-Hexahydropyrrolo[3,2-b]pyrrole-1(2H)-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl (3aS,6aS)-hexahydropyrrolo[3,2-b]pyrrole-1(2H)-carboxylate [ACD/IUPAC Name]
Benzyl-(3aS,6aS)-hexahydropyrrolo[3,2-b]pyrrol-1(2H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,2-b]pyrrole-1(2H)-carboxylic acid, hexahydro-, phenylmethyl ester, (3aS,6aS)- [ACD/Index Name]
1251009-14-9 [RN]
2166291-55-8 [RN]
benzyl (3aS,6aS)-hexahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
benzyl (3aS,6aS)-octahydropyrrolo[3,2-b]pyrrole-1-carboxylate
Benzyl-(cis)-octahydropyrrolo-[3,2-b]pyrrole-1-carboxylate
MFCD18632603 [MDL number]

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±25.0 °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±23.2 °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: 1.41
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
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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