Cas no 500291-74-7 (Benzonitrile,4-[[4-[4-[(1E)-3-(ethylmethylamino)-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]-)

Benzonitrile,4-[[4-[4-[(1E)-3-(ethylmethylamino)-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]- structure
500291-74-7 structure
Product Name:Benzonitrile,4-[[4-[4-[(1E)-3-(ethylmethylamino)-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]-
CAS No:500291-74-7
MF:C25H27N5O
MW:413.514785051346
CID:1547014
Update Time:2024-08-24

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

Names and Identifiers

    • Benzonitrile,4-[[4-[4-[(1E)-3-(ethylmethylamino)-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]-
    • Benzonitrile, 4-[[4-[4-[(1E)-3-(ethylmethylamino)-1-propen-1-yl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]-
    • Inchi： 1S/C25H27N5O/c1-5-30(4)14-6-7-21-15-18(2)24(19(3)16-21)31-23-12-13-27-25(29-23)28-22-10-8-20(17-26)9-11-22/h6-13,15-16H,5,14H2,1-4H3,(H,27,28,29)/b7-6+
    • InChI Key： LMHRFBJBHOVAQJ-VOTSOKGWSA-N
    • SMILES： C(#N)C1=CC=C(NC2=NC=CC(OC3=C(C)C=C(/C=C/CN(CC)C)C=C3C)=N2)C=C1

Computed Properties

  • Exact Mass: 413.22181

Experimental Properties

  • Density: 1.19±0.1 g/cm3(Predicted)
  • Boiling Point: 593.8±60.0 °C(Predicted)
  • PSA: 74.07
  • pka: 8.63±0.50(Predicted)

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

500291-74-7 (Benzonitrile,4-[[4-[4-[(1E)-3-(ethylmethylamino)-1-propenyl]-2,6-dimethylphenoxy]-2-pyrimidinyl]amino]-) Related Products

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