ChemSpider 2D Image | 3-(1H-1,2,4-Triazol-1-yl)-1-adamantanamine | C12H18N4

3-(1H-1,2,4-Triazol-1-yl)-1-adamantanamine

  • Molecular FormulaC12H18N4
  • Average mass218.298 Da
  • Monoisotopic mass218.153152 Da
  • ChemSpider ID23041550

More details:

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

3-(1H-1,2,4-Triazol-1-yl)-1-adamantanamin [German] [ACD/IUPAC Name]
3-(1H-1,2,4-Triazol-1-yl)-1-adamantanamine [ACD/IUPAC Name]
3-(1H-1,2,4-Triazol-1-yl)-1-adamantanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-1-amine, 3-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
(1r,3s,5R,7S)-3-(1H-1,2,4-triazol-1-yl)adamantan-1-amine
3-(1,2,4-triazol-1-yl)adamantan-1-amine
3-(1H-1,2,4-Triazol-1-yl)adamantan-1-amine
3-(1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.13,7]decan-1-amine
915920-86-4 [RN]
MFCD08691741 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 370.8±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.8±3.0 kJ/mol
    Flash Point: 178.0±28.4 °C
    Index of Refraction: 1.820
    Molar Refractivity: 60.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.32
    ACD/LogD (pH 5.5): -1.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 57 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 74.0±7.0 dyne/cm
    Molar Volume: 139.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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