ChemSpider 2D Image | 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine | C9H15N

2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine

  • Molecular FormulaC9H15N
  • Average mass137.222 Da
  • Monoisotopic mass137.120453 Da
  • ChemSpider ID22823921

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
2-[(1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]ethanamin [German] [ACD/IUPAC Name]
2-[(1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]ethanamine [ACD/IUPAC Name]
2-[(1S,2S,4S)-Bicyclo[2.2.1]hept-5-én-2-yl]éthanamine [French] [ACD/IUPAC Name]
61863-41-0 [RN]
Bicyclo[2.2.1]hept-5-ene-2-ethanamine, (1S,2S,4S)- [ACD/Index Name]
1440324-08-2 [RN]
2-((1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl)ethanamine
2-[(1S,4S,5S)-5-bicyclo[2.2.1]hept-2-enyl]ethanamine
MFCD09864246 [MDL number]
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 206.5±9.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.3±3.0 kJ/mol
    Flash Point: 83.3±10.9 °C
    Index of Refraction: 1.525
    Molar Refractivity: 42.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): -1.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 26 Å2
    Polarizability: 17.0±0.5 10-24cm3
    Surface Tension: 41.0±3.0 dyne/cm
    Molar Volume: 139.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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