ChemSpider 2D Image | 4-[4-(3-Nitrophenyl)-1H-1,2,3-triazol-1-yl]-1-butanamine | C12H15N5O2

4-[4-(3-Nitrophenyl)-1H-1,2,3-triazol-1-yl]-1-butanamine

  • Molecular FormulaC12H15N5O2
  • Average mass261.280 Da
  • Monoisotopic mass261.122589 Da
  • ChemSpider ID57324841

More details:

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

1626413-51-1 [RN]
1H-1,2,3-Triazole-1-butanamine, 4-(3-nitrophenyl)- [ACD/Index Name]
4-[4-(3-Nitrophenyl)-1H-1,2,3-triazol-1-yl]-1-butanamin [German] [ACD/IUPAC Name]
4-[4-(3-Nitrophenyl)-1H-1,2,3-triazol-1-yl]-1-butanamine [ACD/IUPAC Name]
4-[4-(3-Nitrophényl)-1H-1,2,3-triazol-1-yl]-1-butanamine [French] [ACD/IUPAC Name]
4-[4-(3-NITROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]BUTAN-1-AMINE
4-(4-(3-Nitrophenyl)-1H-1,2,3-triazol-1-yl)butan-1-amine
4-[4-(3-Nitro-phenyl)-[1,2,3]triazol-1-yl]-butylamine
4-[4-(3-nitrophenyl)triazol-1-yl]butan-1-amine
Chemistry 2770
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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: 474.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.8±3.0 kJ/mol
    Flash Point: 240.8±31.5 °C
    Index of Refraction: 1.658
    Molar Refractivity: 70.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): -1.99
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 103 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 61.0±7.0 dyne/cm
    Molar Volume: 191.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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