ChemSpider 2D Image | 1-(4-Chloro-2-methylphenyl)-N-[3-(4H-1,2,4-triazol-3-yl)benzyl]methanamine | C17H17ClN4

1-(4-Chloro-2-methylphenyl)-N-[3-(4H-1,2,4-triazol-3-yl)benzyl]methanamine

  • Molecular FormulaC17H17ClN4
  • Average mass312.797 Da
  • Monoisotopic mass312.114166 Da
  • ChemSpider ID35101008

More details:

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

1-(4-Chlor-2-methylphenyl)-N-[3-(4H-1,2,4-triazol-3-yl)benzyl]methanamin [German] [ACD/IUPAC Name]
1-(4-Chloro-2-methylphenyl)-N-[3-(4H-1,2,4-triazol-3-yl)benzyl]methanamine [ACD/IUPAC Name]
1-(4-Chloro-2-méthylphényl)-N-[3-(4H-1,2,4-triazol-3-yl)benzyl]méthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, 4-chloro-2-methyl-N-[[3-(4H-1,2,4-triazol-3-yl)phenyl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 520.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.6±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.22
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 31.11
ACD/KOC (pH 7.4): 264.17
Polar Surface Area: 54 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 250.0±3.0 cm3

Click to predict properties on the Chemicalize site


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