ChemSpider 2D Image | N~4~-Benzyl-N~2~-[3,5-bis(trifluoromethyl)phenyl]-5-nitro-2,4-pyrimidinediamine | C19H13F6N5O2

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

  • Molecular FormulaC19H13F6N5O2
  • Average mass457.329 Da
  • Monoisotopic mass457.097351 Da
  • ChemSpider ID124335286

More details:

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

2,4-Pyrimidinediamine, N2-[3,5-bis(trifluoromethyl)phenyl]-5-nitro-N4-(phenylmethyl)- [ACD/Index Name]
N4-Benzyl-N2-[3,5-bis(trifluormethyl)phenyl]-5-nitro-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N4-Benzyl-N2-[3,5-bis(trifluoromethyl)phenyl]-5-nitro-2,4-pyrimidinediamine [ACD/IUPAC Name]
N4-Benzyl-N2-[3,5-bis(trifluorométhyl)phényl]-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: 517.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 267.0±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18902.25
ACD/KOC (pH 5.5): 40052.06
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18915.87
ACD/KOC (pH 7.4): 40080.92
Polar Surface Area: 96 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 300.9±3.0 cm3

Click to predict properties on the Chemicalize site


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