Cas no 500288-43-7 (Propanedinitrile,[[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]methylene]-)

Propanedinitrile,[[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]methylene]- structure
500288-43-7 structure
Product Name:Propanedinitrile,[[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]methylene]-
CAS No:500288-43-7
MF:C23H17N7
MW:391.427983045578
CID:1546987
Update Time:2024-08-24

Propanedinitrile,[[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]methylene]- Chemical and Physical Properties

Names and Identifiers

    • Propanedinitrile,[[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]methylene]-
    • Propanedinitrile, 2-[[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]methylene]-
    • Inchi: 1S/C23H17N7/c1-15-9-18(11-19(13-25)14-26)10-16(2)22(15)29-21-7-8-27-23(30-21)28-20-5-3-17(12-24)4-6-20/h3-11H,1-2H3,(H2,27,28,29,30)
    • InChI Key: CUZICKOKNFEJNE-UHFFFAOYSA-N
    • SMILES: C(#N)/C(=C/C1=CC(C)=C(NC2C=CN=C(NC3=CC=C(C#N)C=C3)N=2)C(C)=C1)/C#N

Computed Properties

  • Exact Mass: 391.15481

Experimental Properties

  • Density: 1.32±0.1 g/cm3(Predicted)
  • Boiling Point: 660.2±65.0 °C(Predicted)
  • PSA: 121.21
  • pka: 4.50±0.10(Predicted)
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