ChemSpider 2D Image | 5-Bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-nitro-2-pyridinamine | C12H13BrN4O3

5-Bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-nitro-2-pyridinamine

  • Molecular FormulaC12H13BrN4O3
  • Average mass341.161 Da
  • Monoisotopic mass340.017090 Da
  • ChemSpider ID30387080

More details:

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

2-Pyridinamine, 5-bromo-N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-methyl-3-nitro- [ACD/Index Name]
5-Brom-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-nitro-2-pyridinamin [German] [ACD/IUPAC Name]
5-Bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-nitro-2-pyridinamine [ACD/IUPAC Name]
5-Bromo-N-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-N-méthyl-3-nitro-2-pyridinamine [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: 478.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.4±28.7 °C
Index of Refraction: 1.629
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.53
ACD/KOC (pH 5.5): 1253.94
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.53
ACD/KOC (pH 7.4): 1253.95
Polar Surface Area: 88 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 217.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement