ChemSpider 2D Image | 1-(3-Methoxyphenyl)-1-[3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]methanamine | C13H15N7O

1-(3-Methoxyphenyl)-1-[3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]methanamine

  • Molecular FormulaC13H15N7O
  • Average mass285.305 Da
  • Monoisotopic mass285.133820 Da
  • ChemSpider ID29359385

More details:

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

1-(3-Methoxyphenyl)-1-[3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]methanamin [German] [ACD/IUPAC Name]
1-(3-Methoxyphenyl)-1-[3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]methanamine [ACD/IUPAC Name]
1-(3-Méthoxyphényl)-1-[3-(1H-1,2,4-triazol-1-ylméthyl)-1H-1,2,4-triazol-5-yl]méthanamine [French] [ACD/IUPAC Name]
1-(3-methoxyphenyl)-1-{5-[(1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl}methanamine
1707585-85-0 [RN]
1H-1,2,4-Triazole-3-methanamine, α-(3-methoxyphenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)- [ACD/Index Name]
(3-methoxyphenyl)-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]methanamine
(5-((1H-1,2,4-Triazol-1-yl)methyl)-1H-1,2,4-triazol-3-yl)(3-methoxyphenyl)methanamine
AKOS016052988
MFCD26526168

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 590.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.1±3.0 kJ/mol
    Flash Point: 310.7±32.9 °C
    Index of Refraction: 1.731
    Molar Refractivity: 77.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.29
    ACD/LogD (pH 5.5): -0.69
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.62
    ACD/LogD (pH 7.4): -0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.18
    Polar Surface Area: 108 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 62.8±7.0 dyne/cm
    Molar Volume: 193.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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