ChemSpider 2D Image | N-{3-[(2,6-Dichlorobenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine | C16H14Cl2N4O

N-{3-[(2,6-Dichlorobenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine

  • Molecular FormulaC16H14Cl2N4O
  • Average mass349.215 Da
  • Monoisotopic mass348.054474 Da
  • ChemSpider ID21795773

More details:

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

4H-1,2,4-Triazol-3-amine, N-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]- [ACD/Index Name]
N-{3-[(2,6-Dichlorbenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amin [German] [ACD/IUPAC Name]
N-{3-[(2,6-Dichlorobenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine [ACD/IUPAC Name]
N-{3-[(2,6-Dichlorobenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine [French] [ACD/IUPAC Name]
[3-(2,6-Dichloro-benzyloxy)-benzyl]-(4H-[1,2,4]triazol-3-yl)-amine
341009-81-2 [RN]
AG-205/12075213
AGN-PC-049IR8
AKOS002655115
MCULE-4992607898
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 555.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.7±3.0 kJ/mol
    Flash Point: 289.8±32.9 °C
    Index of Refraction: 1.681
    Molar Refractivity: 91.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.64
    ACD/LogD (pH 5.5): 4.55
    ACD/BCF (pH 5.5): 1681.46
    ACD/KOC (pH 5.5): 7018.97
    ACD/LogD (pH 7.4): 4.57
    ACD/BCF (pH 7.4): 1739.27
    ACD/KOC (pH 7.4): 7260.28
    Polar Surface Area: 63 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 63.8±3.0 dyne/cm
    Molar Volume: 243.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement