ChemSpider 2D Image | N-Allyl-4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinamine | C16H16F3N3

N-Allyl-4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinamine

  • Molecular FormulaC16H16F3N3
  • Average mass307.314 Da
  • Monoisotopic mass307.129639 Da
  • ChemSpider ID23720575

More details:

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

2-Pyrimidinamine, 4-(4-ethylphenyl)-N-2-propen-1-yl-6-(trifluoromethyl)- [ACD/Index Name]
N-Allyl-4-(4-ethylphenyl)-6-(trifluormethyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-Allyl-4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinamine [ACD/IUPAC Name]
N-Allyl-4-(4-éthylphényl)-6-(trifluorométhyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]prop-2-enylamine
4-(4-ethylphenyl)-N-(prop-2-en-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
Allyl-[4-(4-ethyl-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 412.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 203.3±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1429.10
ACD/KOC (pH 5.5): 6309.45
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1429.13
ACD/KOC (pH 7.4): 6309.54
Polar Surface Area: 38 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 255.1±3.0 cm3

Click to predict properties on the Chemicalize site


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