Cas no 500293-67-4 (Benzonitrile,4-[[4-[[2-bromo-4-(hydroxymethyl)phenyl]amino]-2-pyrimidinyl]amino]-)

Benzonitrile,4-[[4-[[2-bromo-4-(hydroxymethyl)phenyl]amino]-2-pyrimidinyl]amino]- structure
500293-67-4 structure
Product Name:Benzonitrile,4-[[4-[[2-bromo-4-(hydroxymethyl)phenyl]amino]-2-pyrimidinyl]amino]-
CAS No:500293-67-4
MF:C18H14BrN5O
MW:396.240662097931
CID:1544881
Update Time:2024-08-23

Benzonitrile,4-[[4-[[2-bromo-4-(hydroxymethyl)phenyl]amino]-2-pyrimidinyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-[[4-[[2-bromo-4-(hydroxymethyl)phenyl]amino]-2-pyrimidinyl]amino]-
    • Benzonitrile, 4-[[4-[[2-bromo-4-(hydroxymethyl)phenyl]amino]-2-pyrimidinyl]amino]-
    • Inchi： 1S/C18H14BrN5O/c19-15-9-13(11-25)3-6-16(15)23-17-7-8-21-18(24-17)22-14-4-1-12(10-20)2-5-14/h1-9,25H,11H2,(H2,21,22,23,24)
    • InChI Key： JNKAIZAKWNQMBG-UHFFFAOYSA-N
    • SMILES： C(#N)C1=CC=C(NC2=NC=CC(NC3=CC=C(CO)C=C3Br)=N2)C=C1

Computed Properties

  • Exact Mass: 395.03832

Experimental Properties

  • Density: 1.60±0.1 g/cm3(Predicted)
  • Boiling Point: 629.7±65.0 °C(Predicted)
  • PSA: 93.86
  • pka: 14.09±0.10(Predicted)

Benzonitrile,4-[[4-[[2-bromo-4-(hydroxymethyl)phenyl]amino]-2-pyrimidinyl]amino]- Related Literature

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