ChemSpider 2D Image | 1-(Isobutylamino)-3-(2,4,6-tribromophenoxy)-2-propanol | C13H18Br3NO2

1-(Isobutylamino)-3-(2,4,6-tribromophenoxy)-2-propanol

  • Molecular FormulaC13H18Br3NO2
  • Average mass460.000 Da
  • Monoisotopic mass456.888733 Da
  • ChemSpider ID42061916

More details:

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

1-(Isobutylamino)-3-(2,4,6-tribromophenoxy)-2-propanol [ACD/IUPAC Name]
1-(Isobutylamino)-3-(2,4,6-tribromophénoxy)-2-propanol [French] [ACD/IUPAC Name]
1-(Isobutylamino)-3-(2,4,6-tribromphenoxy)-2-propanol [German] [ACD/IUPAC Name]
2-Propanol, 1-[(2-methylpropyl)amino]-3-(2,4,6-tribromophenoxy)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 489.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.9±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 6.39
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 23.64
ACD/KOC (pH 7.4): 103.37
Polar Surface Area: 41 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 268.1±3.0 cm3

Click to predict properties on the Chemicalize site


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