ChemSpider 2D Image | 3-[(2-{[3,5-Bis(trifluoromethyl)phenyl]amino}-5-nitro-4-pyrimidinyl)amino]-1-propanol | C15H13F6N5O3

3-[(2-{[3,5-Bis(trifluoromethyl)phenyl]amino}-5-nitro-4-pyrimidinyl)amino]-1-propanol

  • Molecular FormulaC15H13F6N5O3
  • Average mass425.286 Da
  • Monoisotopic mass425.092255 Da
  • ChemSpider ID124338411

More details:

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

1-Propanol, 3-[[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-5-nitro-4-pyrimidinyl]amino]- [ACD/Index Name]
3-[(2-{[3,5-Bis(trifluormethyl)phenyl]amino}-5-nitro-4-pyrimidinyl)amino]-1-propanol [German] [ACD/IUPAC Name]
3-[(2-{[3,5-Bis(trifluoromethyl)phenyl]amino}-5-nitro-4-pyrimidinyl)amino]-1-propanol [ACD/IUPAC Name]
3-[(2-{[3,5-Bis(trifluorométhyl)phényl]amino}-5-nitro-4-pyrimidinyl)amino]-1-propanol [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: 525.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.4±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 642.83
ACD/KOC (pH 5.5): 3560.64
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 643.38
ACD/KOC (pH 7.4): 3563.69
Polar Surface Area: 116 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 270.8±3.0 cm3

Click to predict properties on the Chemicalize site


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