Cas no 500293-78-7 (Benzonitrile, 4-[[4-(4-amino-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]-)

Benzonitrile, 4-[[4-(4-amino-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]- structure
500293-78-7 structure
Product Name:Benzonitrile, 4-[[4-(4-amino-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]-
CAS No:500293-78-7
MF:C19H17N5O
MW:331.371183156967
CID:1544884
Update Time:2024-08-23

Benzonitrile, 4-[[4-(4-amino-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 4-[[4-(4-amino-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]-
    • Inchi： 1S/C19H17N5O/c1-12-9-15(21)10-13(2)18(12)25-17-7-8-22-19(24-17)23-16-5-3-14(11-20)4-6-16/h3-10H,21H2,1-2H3,(H,22,23,24)
    • InChI Key： MCGPRQOZLXHKNG-UHFFFAOYSA-N
    • SMILES： C(#N)C1=CC=C(NC2=NC=CC(OC3=C(C)C=C(N)C=C3C)=N2)C=C1

Computed Properties

  • Exact Mass: 331.14351

Experimental Properties

  • Density: 1.30±0.1 g/cm3(Predicted)
  • Boiling Point: 562.6±60.0 °C(Predicted)
  • PSA: 96.85
  • pka: 3.91±0.10(Predicted)

Benzonitrile, 4-[[4-(4-amino-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]- Related Literature

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