Cas no 28731-85-3 (1,3,5-Triazine-2,4-diamine,N2,N4-bis(4-aminophenyl)-6-chloro-)

1,3,5-Triazine-2,4-diamine,N2,N4-bis(4-aminophenyl)-6-chloro- structure
28731-85-3 structure
Product Name:1,3,5-Triazine-2,4-diamine,N2,N4-bis(4-aminophenyl)-6-chloro-
CAS No:28731-85-3
MF:C15H14ClN7
MW:327.771560192108
CID:267824
Update Time:2024-01-27

1,3,5-Triazine-2,4-diamine,N2,N4-bis(4-aminophenyl)-6-chloro- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine-2,4-diamine,N2,N4-bis(4-aminophenyl)-6-chloro-
    • 2-N,2-N-bis(4-aminophenyl)-6-chloro-1,3,5-triazine-2,4-diamine
    • 1,3,5-Triazine-2,4-diamine,N,N'-bis(4-aminophenyl)-6-chloro- (9CI)
    • 2,4-Bis(4-aminophenylamino)-6-chloro-s-triazine
    • AG-E-92611
    • CTK4G1989
    • N,N-BIS(4-AMINOPHENYL)-6-CHLORO-1,3,5-TRIAZINE-2,4-DIAMINE
    • NSC 364211
    • s-Triazine, 2,4-bis(p-aminoanilino)-6-chloro-(8CI)
    • Inchi: 1S/C15H14ClN7/c16-13-21-14(19-11-5-1-9(17)2-6-11)23-15(22-13)20-12-7-3-10(18)4-8-12/h1-8H,17-18H2,(H2,19,20,21,22,23)
    • InChI Key: VYQUSHGMNCPSNC-UHFFFAOYSA-N
    • SMILES: N1=C(Cl)N=C(NC2=CC=C(N)C=C2)N=C1NC1=CC=C(N)C=C1

Computed Properties

  • Exact Mass: 327.10022
  • Monoisotopic Mass: 327.099921
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 324
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 115

Experimental Properties

  • Density: 1.505
  • Boiling Point: 635.7°Cat760mmHg
  • Flash Point: 338.3°C
  • Refractive Index: 1.795
  • PSA: 114.77
  • LogP: 4.48500
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