ChemSpider 2D Image | CIs-Tert-Butyl 3A-(Hydroxymethyl)Hexahydrocyclopenta[C]Pyrrole-2(1H)-Carboxylate | C13H23NO3

CIs-Tert-Butyl 3A-(Hydroxymethyl)Hexahydrocyclopenta[C]Pyrrole-2(1H)-Carboxylate

  • Molecular FormulaC13H23NO3
  • Average mass241.327 Da
  • Monoisotopic mass241.167801 Da
  • ChemSpider ID24609076

More details:

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

1,1-Dimethylethyl hexahydro-3a-(hydroxymethyl)cyclopenta[c]pyrrole-2(1H)-carboxylate
1223748-37-5 [RN]
1445951-44-9 [RN]
2-Methyl-2-propanyl 3a-(hydroxymethyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3a-(hydroxymethyl)hexahydrocyclopenta[c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
3a-(Hydroxyméthyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
CIs-Tert-Butyl 3A-(Hydroxymethyl)Hexahydrocyclopenta[C]Pyrrole-2(1H)-Carboxylate
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-3a-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
[1223748-37-5] [RN]
3a-Hydroxymethyl-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 335.7±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 67.1±6.0 kJ/mol
    Flash Point: 156.8±20.4 °C
    Index of Refraction: 1.516
    Molar Refractivity: 64.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.25
    ACD/LogD (pH 5.5): 1.78
    ACD/BCF (pH 5.5): 13.34
    ACD/KOC (pH 5.5): 222.38
    ACD/LogD (pH 7.4): 1.78
    ACD/BCF (pH 7.4): 13.34
    ACD/KOC (pH 7.4): 222.38
    Polar Surface Area: 50 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 43.5±3.0 dyne/cm
    Molar Volume: 214.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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