Cas no 79058-63-2 (N-[8-[(2,4-dinitrophenyl)hydrazinylidene]octylideneamino]-2,4-dinitroaniline)

N-[8-[(2,4-dinitrophenyl)hydrazinylidene]octylideneamino]-2,4-dinitroaniline structure
79058-63-2 structure
Product Name:N-[8-[(2,4-dinitrophenyl)hydrazinylidene]octylideneamino]-2,4-dinitroaniline
CAS No:79058-63-2
MF:C20H22N8O8
MW:502.437483310699
CID:883351
PubChem ID:273925
Update Time:2025-04-19

N-[8-[(2,4-dinitrophenyl)hydrazinylidene]octylideneamino]-2,4-dinitroaniline Chemical and Physical Properties

Names and Identifiers

    • N-[8-[(2,4-dinitrophenyl)hydrazinylidene]octylideneamino]-2,4-dinitroaniline
    • (+-)-Octan-2-thiol
    • (+-)-octane-2-thiol
    • (+-)-Octanthiol-(2)
    • 1-methylheptylthiol
    • Korksaeuredialdehyd-bis(2,4-dinitrophenylhydrazon)
    • Octan-2-thiol
    • Octandial-bis-(2,4-dinitro-phenylhydrazon)
    • octane-2-thiol
    • octanedial-bis-(2,4-dinitro-phenylhydrazone)
    • DTXSID501000240
    • 1,1'-(Octane-1,8-diylidene)bis[2-(2,4-dinitrophenyl)hydrazine]
    • 79058-63-2
    • Inchi: 1S/C20H22N8O8/c29-25(30)15-7-9-17(19(13-15)27(33)34)23-21-11-5-3-1-2-4-6-12-22-24-18-10-8-16(26(31)32)14-20(18)28(35)36/h7-14,23-24H,1-6H2
    • InChI Key: QMZOEMVWUQWERP-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(C=CC=1NN=CCCCCCCC=NNC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 502.15626
  • Monoisotopic Mass: 502.15605969g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 11
  • Complexity: 738
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 5.6
  • Topological Polar Surface Area: 232?2

Experimental Properties

  • PSA: 221.34
  • LogP: 7.39440
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