ChemSpider 2D Image | N-Benzyl-4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinamine | C16H12F3N3S

N-Benzyl-4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinamine

  • Molecular FormulaC16H12F3N3S
  • Average mass335.347 Da
  • Monoisotopic mass335.070404 Da
  • ChemSpider ID23719983

More details:

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

2-Pyrimidinamine, N-(phenylmethyl)-4-(2-thienyl)-6-(trifluoromethyl)- [ACD/Index Name]
N-Benzyl-4-(2-thienyl)-6-(trifluormethyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-Benzyl-4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinamine [ACD/IUPAC Name]
N-Benzyl-4-(2-thiényl)-6-(trifluorométhyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
Benzyl-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-yl)-amine
benzyl[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]amine
N-benzyl-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 481.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.8±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1179.12
ACD/KOC (pH 5.5): 5498.20
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1179.13
ACD/KOC (pH 7.4): 5498.24
Polar Surface Area: 66 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 244.3±3.0 cm3

Click to predict properties on the Chemicalize site


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