Cas no 500291-58-7 (Benzonitrile,4-[[4-[4-[(1E)-3-[ethyl(4-pyridinylmethyl)amino]-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]-)

Benzonitrile,4-[[4-[4-[(1E)-3-[ethyl(4-pyridinylmethyl)amino]-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]- structure
500291-58-7 structure
Product Name:Benzonitrile,4-[[4-[4-[(1E)-3-[ethyl(4-pyridinylmethyl)amino]-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]-
CAS No:500291-58-7
MF:C30H30N6O
MW:490.598805904388
CID:1544867
Update Time:2024-08-23

Benzonitrile,4-[[4-[4-[(1E)-3-[ethyl(4-pyridinylmethyl)amino]-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-[[4-[4-[(1E)-3-[ethyl(4-pyridinylmethyl)amino]-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]-
    • Benzonitrile, 4-[[4-[4-[(1E)-3-[ethyl(4-pyridinylmethyl)amino]-1-propen-1-yl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]-
    • Inchi： 1S/C30H30N6O/c1-4-36(21-25-11-14-32-15-12-25)17-5-6-26-18-22(2)29(23(3)19-26)37-28-13-16-33-30(35-28)34-27-9-7-24(20-31)8-10-27/h5-16,18-19H,4,17,21H2,1-3H3,(H,33,34,35)/b6-5+
    • InChI Key： AEWGSGSBQBRBGE-AATRIKPKSA-N
    • SMILES： C(#N)C1=CC=C(NC2=NC=CC(OC3=C(C)C=C(/C=C/CN(CC)CC4C=CN=CC=4)C=C3C)=N2)C=C1

Computed Properties

  • Exact Mass: 490.2484

Experimental Properties

  • Density: 1.23±0.1 g/cm3(Predicted)
  • Boiling Point: 680.6±65.0 °C(Predicted)
  • PSA: 86.96
  • pka: 6.61±0.50(Predicted)

Benzonitrile,4-[[4-[4-[(1E)-3-[ethyl(4-pyridinylmethyl)amino]-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]- Related Literature

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