ChemSpider 2D Image | 1-(2-(5-Cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl)azepane | C13H22N4

1-(2-(5-Cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl)azepane

  • Molecular FormulaC13H22N4
  • Average mass234.341 Da
  • Monoisotopic mass234.184448 Da
  • ChemSpider ID29374911

More details:

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

1-(2-(5-Cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl)azepane
1-[2-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]azepan [German] [ACD/IUPAC Name]
1-[2-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]azepane [ACD/IUPAC Name]
1-[2-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)éthyl]azépane [French] [ACD/IUPAC Name]
1279207-63-4 [RN]
1H-Azepine, 1-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]hexahydro- [ACD/Index Name]
1-[2-(5-Cyclopropyl-1H-[1,2,4]triazol-3-yl)-ethyl]-azepane
AGN-PC-09OZJM
AKOS005188672
MFCD18784937

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 428.3±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 212.8±29.3 °C
    Index of Refraction: 1.570
    Molar Refractivity: 67.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.48
    ACD/LogD (pH 5.5): -0.94
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.40
    Polar Surface Area: 45 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 54.5±3.0 dyne/cm
    Molar Volume: 206.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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