ChemSpider 2D Image | {2-[3-(Aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-5-chlorophenyl}(phenyl)methanone | C17H15ClN4O

{2-[3-(Aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-5-chlorophenyl}(phenyl)methanone

  • Molecular FormulaC17H15ClN4O
  • Average mass326.780 Da
  • Monoisotopic mass326.093445 Da
  • ChemSpider ID48057672

More details:

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

{2-[3-(Aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-5-chlorophenyl}(phenyl)methanone [ACD/IUPAC Name]
{2-[3-(Aminométhyl)-5-méthyl-4H-1,2,4-triazol-4-yl]-5-chlorophényl}(phényl)méthanone [French] [ACD/IUPAC Name]
{2-[3-(Aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-5-chlorphenyl}(phenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-[3-(aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-5-chlorophenyl]phenyl- [ACD/Index Name]
[2-[3-(aminomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-chlorophenyl]-phenylmethanone
125316-83-8 [RN]
69505-70-0 [RN]
Alprazolam Aminomethyl Ketone Hydrochloride
alprazolam op
METHANONE,[2-[3-(AMINOMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL]-5-CHLOROPHENYL]PHENYL-

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 578.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.6±3.0 kJ/mol
    Flash Point: 303.7±32.9 °C
    Index of Refraction: 1.666
    Molar Refractivity: 90.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.84
    ACD/LogD (pH 5.5): 0.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.48
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 11.85
    ACD/KOC (pH 7.4): 186.51
    Polar Surface Area: 74 Å2
    Polarizability: 35.9±0.5 10-24cm3
    Surface Tension: 52.1±7.0 dyne/cm
    Molar Volume: 243.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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