ChemSpider 2D Image | tcn238 | C12H11N3

tcn238

  • Molecular FormulaC12H11N3
  • Average mass197.236 Da
  • Monoisotopic mass197.095291 Da
  • ChemSpider ID25068246

  • Double-bond stereo - Double-bond stereo

More details:

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

125404-04-8 [RN]
2-Pyrimidinamine, 4-[(E)-2-phenylethenyl]- [ACD/Index Name]
4-[(1E)-2-phenylethenyl]pyrimidin-2-amine
4-[(E)-2-Phenylvinyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-[(E)-2-Phenylvinyl]-2-pyrimidinamine [ACD/IUPAC Name]
4-[(E)-2-Phénylvinyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
compound 11 [PMID: 20638279]
TCN 238
tcn238
(E)-4-(2-Phenylethenyl)-2-pyrimidinamine
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4259
      Glutamate (Metabotropic) Group III Receptors Tocris Bioscience 4259
      Glutamate (Metabotropic) Receptors Tocris Bioscience 4259
      Positive allosteric modulator of mGlu4 Tocris Bioscience 4259
      Positive allosteric modulator of mGlu4 receptors (EC50 = 1.0 ?M for human and rat mGlu4 receptors). Orally available and brain penetrant. Tocris Bioscience 4259
      Positive allosteric modulator of mGlu4 receptors (EC50 = 1.0 muM for human and rat mGlu4 receptors). Orally available and brain penetrant. Tocris Bioscience 4259

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

Density: 1.2±0.1 g/cm3
Boiling Point: 414.9±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 234.0±15.4 °C
Index of Refraction: 1.725
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.03
ACD/KOC (pH 5.5): 456.65
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.47
ACD/KOC (pH 7.4): 474.48
Polar Surface Area: 52 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 161.4±3.0 cm3

Click to predict properties on the Chemicalize site


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