ChemSpider 2D Image | (1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid | C8H13NO2

(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

  • Molecular FormulaC8H13NO2
  • Average mass155.194 Da
  • Monoisotopic mass155.094635 Da
  • ChemSpider ID28536641

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexan-2-carbonsäure [German] [ACD/IUPAC Name]
(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, (1R,2S,5S)- [ACD/Index Name]
911835-76-2 [RN]
Acide (1R,2S,5S)-6,6-diméthyl-3-azabicyclo[3.1.0]hexane-2-carboxylique [French] [ACD/IUPAC Name]
(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2- carboxylic acid
(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo-[3.1.0]hexane-2-carboxylic acid
(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylicacid
(1S,2S,5R)-6,6-dimethyl-3-azabicyclo; [3.1.0]hexane-2-carboxylic acid
[911835-76-2] [RN]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 268.9±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 55.8±6.0 kJ/mol
    Flash Point: 116.4±22.6 °C
    Index of Refraction: 1.506
    Molar Refractivity: 39.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.32
    ACD/LogD (pH 5.5): -1.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 49 Å2
    Polarizability: 15.8±0.5 10-24cm3
    Surface Tension: 37.5±3.0 dyne/cm
    Molar Volume: 134.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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