ChemSpider 2D Image | (3aR,6aS)-Octahydrocyclopenta[c]pyrrole | C7H13N

(3aR,6aS)-Octahydrocyclopenta[c]pyrrole

  • Molecular FormulaC7H13N
  • Average mass111.185 Da
  • Monoisotopic mass111.104797 Da
  • ChemSpider ID24590309

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aS)-Octahydrocyclopenta[c]pyrrol [German] [ACD/IUPAC Name]
(3aR,6aS)-Octahydrocyclopenta[c]pyrrole [ACD/IUPAC Name]
(3aR,6aS)-Octahydrocyclopenta[c]pyrrole [French] [ACD/IUPAC Name]
1037834-39-1 [RN]
1468-87-7 [RN]
1932151-95-5 [RN]
Cyclopenta[c]pyrrole, octahydro-, (3aR,6aS)- [ACD/Index Name]
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
926276-10-0 [RN]
96896-09-2 [RN]
More...

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 165.0±8.0 °C at 760 mmHg
    Vapour Pressure: 1.9±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 40.1±3.0 kJ/mol
    Flash Point: 44.8±16.5 °C
    Index of Refraction: 1.478
    Molar Refractivity: 33.7±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.35
    ACD/LogD (pH 5.5): -1.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 12 Å2
    Polarizability: 13.4±0.5 10-24cm3
    Surface Tension: 31.5±3.0 dyne/cm
    Molar Volume: 119.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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