Cas no 500292-34-2 (Benzonitrile,4-[[4-[4-[(1E)-2-cyanoethenyl]-2-methylphenoxy]-2-pyrimidinyl]amino]-)

Benzonitrile,4-[[4-[4-[(1E)-2-cyanoethenyl]-2-methylphenoxy]-2-pyrimidinyl]amino]- structure
500292-34-2 structure
Product Name:Benzonitrile,4-[[4-[4-[(1E)-2-cyanoethenyl]-2-methylphenoxy]-2-pyrimidinyl]amino]-
CAS No:500292-34-2
MF:C21H15N5O
MW:353.376703500748
CID:1544872
Update Time:2024-08-23

Benzonitrile,4-[[4-[4-[(1E)-2-cyanoethenyl]-2-methylphenoxy]-2-pyrimidinyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-[[4-[4-[(1E)-2-cyanoethenyl]-2-methylphenoxy]-2-pyrimidinyl]amino]-
    • Benzonitrile, 4-[[4-[4-[(1E)-2-cyanoethenyl]-2-methylphenoxy]-2-pyrimidinyl]amino]-
    • Inchi: 1S/C21H15N5O/c1-15-13-16(3-2-11-22)6-9-19(15)27-20-10-12-24-21(26-20)25-18-7-4-17(14-23)5-8-18/h2-10,12-13H,1H3,(H,24,25,26)/b3-2+
    • InChI Key: UJSUZEWLZNRPRQ-NSCUHMNNSA-N
    • SMILES: C(#N)C1=CC=C(NC2=NC=CC(OC3=CC=C(/C=C/C#N)C=C3C)=N2)C=C1

Computed Properties

  • Exact Mass: 353.12785

Experimental Properties

  • Density: 1.30±0.1 g/cm3(Predicted)
  • Boiling Point: 606.3±65.0 °C(Predicted)
  • PSA: 94.62
  • pka: 3.48±0.10(Predicted)
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