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

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

  • Molecular FormulaC14H18N2O2
  • Average mass246.305 Da
  • Monoisotopic mass246.136826 Da
  • ChemSpider ID25069058
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aR,6aR)-Hexahydropyrrolo[3,2-b]pyrrole-1(2H)-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl (3aR,6aR)-hexahydropyrrolo[3,2-b]pyrrole-1(2H)-carboxylate [ACD/IUPAC Name]
Benzyl-(3aR,6aR)-hexahydropyrrolo[3,2-b]pyrrol-1(2H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,2-b]pyrrole-1(2H)-carboxylic acid, hexahydro-, phenylmethyl ester, (3aR,6aR)- [ACD/Index Name]
(3aR,6aR)-Benzyl hexahydropyrrolo[3,2-b]pyrrole-1(2H)-carboxylate
(3aR,6aR)-Benzylhexahydropyrrolo[3,2-b]pyrrole-1(2H)-carboxylate
1251009-14-9 [RN]
1295578-04-9 [RN]
770711-44-9 [RN]
AKOS024438439
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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