ChemSpider 2D Image | CHEMBRDG-BB 4003520 | C11H19N

CHEMBRDG-BB 4003520

  • Molecular FormulaC11H19N
  • Average mass165.275 Da
  • Monoisotopic mass165.151749 Da
  • ChemSpider ID22823919

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

140632-14-0 [RN]
2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethanamin [German] [ACD/IUPAC Name]
2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethanamine [ACD/IUPAC Name]
2-[(1R,5S)-6,6-Diméthylbicyclo[3.1.1]hept-2-én-2-yl]éthanamine [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hept-2-ene-2-ethanamine, 6,6-dimethyl-, (1R)- [ACD/Index Name]
Bicyclo[3.1.1]hept-2-ene-2-ethanamine, 6,6-dimethyl-, (1R,5S)- [ACD/Index Name]
CHEMBRDG-BB 4003520
2-((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethanamine
2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethan-1-amine
2-[(1R,5S)-6,6-DIMETHYLBICYCLO-[3.1.1]-HEPT-2-EN-2-YL]ETHANAMINE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 0.9±0.1 g/cm3
    Boiling Point: 230.5±9.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.7±3.0 kJ/mol
    Flash Point: 93.7±10.9 °C
    Index of Refraction: 1.503
    Molar Refractivity: 52.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.14
    ACD/LogD (pH 5.5): -0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.34
    Polar Surface Area: 26 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 31.5±3.0 dyne/cm
    Molar Volume: 176.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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