ChemSpider 2D Image | N-(2-Bromo-4-fluorobenzyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine | C14H16BrFN4

N-(2-Bromo-4-fluorobenzyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine

  • Molecular FormulaC14H16BrFN4
  • Average mass339.206 Da
  • Monoisotopic mass338.054230 Da
  • ChemSpider ID50011186

More details:

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

5H-Pyrrolo[2,1-c]-1,2,4-triazole-3-methanamine, N-[(2-bromo-4-fluorophenyl)methyl]-6,7-dihydro-α-methyl- [ACD/Index Name]
N-(2-Brom-4-fluorbenzyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamin [German] [ACD/IUPAC Name]
N-(2-Bromo-4-fluorobenzyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine [ACD/IUPAC Name]
N-(2-Bromo-4-fluorobenzyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 470.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.5±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 79.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 33.16
ACD/KOC (pH 5.5): 301.92
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 108.71
ACD/KOC (pH 7.4): 989.75
Polar Surface Area: 43 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 212.0±7.0 cm3

Click to predict properties on the Chemicalize site


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