ChemSpider 2D Image | (3aR,6aR)-1-Benzyloctahydropyrrolo[3,4-b]pyrrole | C13H18N2

(3aR,6aR)-1-Benzyloctahydropyrrolo[3,4-b]pyrrole

  • Molecular FormulaC13H18N2
  • Average mass202.295 Da
  • Monoisotopic mass202.147003 Da
  • ChemSpider ID29356314

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aR)-1-Benzyloctahydropyrrolo[3,4-b]pyrrol [German] [ACD/IUPAC Name]
(3aR,6aR)-1-Benzyloctahydropyrrolo[3,4-b]pyrrole [ACD/IUPAC Name]
(3aR,6aR)-1-Benzyloctahydropyrrolo[3,4-b]pyrrole [French] [ACD/IUPAC Name]
370879-92-8 [RN]
Pyrrolo[3,4-b]pyrrole, octahydro-1-(phenylmethyl)-, (3aR,6aR)- [ACD/Index Name]
rel-(3aR,6aR)-Octahydro-1-(phenylmethyl)pyrrolo[3,4-b]pyrrole
(3aR,6aR)-1-Benzyl-octahydropyrrolo[2,3-c]pyrrole
(3aR,6aR)-rel-1-Benzyloctahydropyrrolo[3,4-b]pyrrole
[370879-92-8] [RN]
CIS-1-BENZYLHEXAHYDROPYRROLO[3,4-B]PYRROLE
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 304.4±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.5±3.0 kJ/mol
    Flash Point: 127.7±11.9 °C
    Index of Refraction: 1.570
    Molar Refractivity: 61.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.42
    ACD/LogD (pH 5.5): -2.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 15 Å2
    Polarizability: 24.5±0.5 10-24cm3
    Surface Tension: 40.7±3.0 dyne/cm
    Molar Volume: 188.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement