ChemSpider 2D Image | 1-(3-Bromo-1,2-oxazol-5-yl)-2-{[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]amino}ethanol | C9H6D9BrN2O2

1-(3-Bromo-1,2-oxazol-5-yl)-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}ethanol

  • Molecular FormulaC9H6D9BrN2O2
  • Average mass272.187 Da
  • Monoisotopic mass271.088165 Da
  • ChemSpider ID58781530

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(3-Brom-1,2-oxazol-5-yl)-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}ethanol [German] [ACD/IUPAC Name]
1-(3-Bromo-1,2-oxazol-5-yl)-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}ethanol [ACD/IUPAC Name]
1-(3-Bromo-1,2-oxazol-5-yl)-2-{[2-(2H3)méthyl(2H6)-2-propanyl]amino}éthanol [French] [ACD/IUPAC Name]
5-Isoxazolemethanol, 3-bromo-α-[[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 370.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 177.9±26.5 °C
Index of Refraction: 1.525
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 58 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 187.6±3.0 cm3

Click to predict properties on the Chemicalize site


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