ChemSpider 2D Image | 1-(2-Pyrimidinyl)-3-azetidinecarboxylic acid | C8H9N3O2

1-(2-Pyrimidinyl)-3-azetidinecarboxylic acid

  • Molecular FormulaC8H9N3O2
  • Average mass179.176 Da
  • Monoisotopic mass179.069473 Da
  • ChemSpider ID27458676

More details:

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

1-(2-Pyrimidinyl)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(2-Pyrimidinyl)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
1-(Pyrimidin-2-yl)azetidine-3-carboxylic acid
1289387-31-0 [RN]
3-Azetidinecarboxylic acid, 1-(2-pyrimidinyl)- [ACD/Index Name]
Acide 1-(2-pyrimidinyl)-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
1-(pyrimidin-2-yl)azetidine-3-carboxylicacid
1-pyrimidin-2-ylazetidine-3-carboxylic acid
1-Pyrimidin-2-yl-azetidine-3-carboxylic acid
AJ-117372
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 423.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±3.0 kJ/mol
    Flash Point: 209.9±31.5 °C
    Index of Refraction: 1.624
    Molar Refractivity: 44.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.28
    ACD/LogD (pH 5.5): -1.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 78.6±3.0 dyne/cm
    Molar Volume: 124.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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