ChemSpider 2D Image | N~2~-[3,5-Bis(trifluoromethyl)phenyl]-N~4~-(2-methoxyethyl)-5-nitro-2,4-pyrimidinediamine | C15H13F6N5O3

N2-[3,5-Bis(trifluoromethyl)phenyl]-N4-(2-methoxyethyl)-5-nitro-2,4-pyrimidinediamine

  • Molecular FormulaC15H13F6N5O3
  • Average mass425.286 Da
  • Monoisotopic mass425.092255 Da
  • ChemSpider ID124332222

More details:

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

2,4-Pyrimidinediamine, N2-[3,5-bis(trifluoromethyl)phenyl]-N4-(2-methoxyethyl)-5-nitro- [ACD/Index Name]
N2-[3,5-Bis(trifluormethyl)phenyl]-N4-(2-methoxyethyl)-5-nitro-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N2-[3,5-Bis(trifluoromethyl)phenyl]-N4-(2-methoxyethyl)-5-nitro-2,4-pyrimidinediamine [ACD/IUPAC Name]
N2-[3,5-Bis(trifluorométhyl)phényl]-N4-(2-méthoxyéthyl)-5-nitro-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 482.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.6±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 88.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1083.06
ACD/KOC (pH 5.5): 5172.78
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1083.74
ACD/KOC (pH 7.4): 5176.06
Polar Surface Area: 105 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 279.6±3.0 cm3

Click to predict properties on the Chemicalize site


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