ChemSpider 2D Image | 2-Nitro-N-{3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl}-4-(trifluoromethyl)aniline | C18H21F3N6O2

2-Nitro-N-{3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl}-4-(trifluoromethyl)aniline

  • Molecular FormulaC18H21F3N6O2
  • Average mass410.393 Da
  • Monoisotopic mass410.167816 Da
  • ChemSpider ID24161168

More details:

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

1-Piperazinepropanamine, N-[2-nitro-4-(trifluoromethyl)phenyl]-4-(2-pyrimidinyl)- [ACD/Index Name]
2-Nitro-N-{3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl}-4-(trifluormethyl)anilin [German] [ACD/IUPAC Name]
2-Nitro-N-{3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl}-4-(trifluoromethyl)aniline [ACD/IUPAC Name]
2-Nitro-N-{3-[4-(2-pyrimidinyl)-1-pipérazinyl]propyl}-4-(trifluorométhyl)aniline [French] [ACD/IUPAC 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: 558.6±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: 291.6±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 8.44
ACD/KOC (pH 5.5): 47.84
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 316.45
ACD/KOC (pH 7.4): 1794.07
Polar Surface Area: 90 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 302.5±3.0 cm3

Click to predict properties on the Chemicalize site


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