ChemSpider 2D Image | N-{[1-(2,6-Dibromo-4-methylphenyl)-1H-tetrazol-5-yl]methyl}-2-methoxyethanamine | C12H15Br2N5O

N-{[1-(2,6-Dibromo-4-methylphenyl)-1H-tetrazol-5-yl]methyl}-2-methoxyethanamine

  • Molecular FormulaC12H15Br2N5O
  • Average mass405.088 Da
  • Monoisotopic mass402.964325 Da
  • ChemSpider ID40067733

More details:

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

1H-Tetrazole-5-methanamine, 1-(2,6-dibromo-4-methylphenyl)-N-(2-methoxyethyl)- [ACD/Index Name]
N-{[1-(2,6-Dibrom-4-methylphenyl)-1H-tetrazol-5-yl]methyl}-2-methoxyethanamin [German] [ACD/IUPAC Name]
N-{[1-(2,6-Dibromo-4-methylphenyl)-1H-tetrazol-5-yl]methyl}-2-methoxyethanamine [ACD/IUPAC Name]
N-{[1-(2,6-Dibromo-4-méthylphényl)-1H-tétrazol-5-yl]méthyl}-2-méthoxyéthanamine [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 484.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 247.0±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 85.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 47.99
ACD/KOC (pH 5.5): 489.80
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.40
ACD/KOC (pH 7.4): 759.33
Polar Surface Area: 65 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 228.3±7.0 cm3

Click to predict properties on the Chemicalize site


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