Cas no 526222-92-4 (N~1~,N~8~-Bis(2-nitrophenyl)octane-1,8-diamine)

N~1~,N~8~-Bis(2-nitrophenyl)octane-1,8-diamine structure
526222-92-4 structure
Product Name:N~1~,N~8~-Bis(2-nitrophenyl)octane-1,8-diamine
CAS No:526222-92-4
MF:C20H26N4O4
MW:386.444844722748
CID:2830360
PubChem ID:71442066
Update Time:2025-04-21

N~1~,N~8~-Bis(2-nitrophenyl)octane-1,8-diamine Chemical and Physical Properties

Names and Identifiers

    • N~1~,N~8~-Bis(2-nitrophenyl)octane-1,8-diamine
    • 526222-92-4
    • DTXSID70850973
    • Inchi: 1S/C20H26N4O4/c25-23(26)19-13-7-5-11-17(19)21-15-9-3-1-2-4-10-16-22-18-12-6-8-14-20(18)24(27)28/h5-8,11-14,21-22H,1-4,9-10,15-16H2
    • InChI Key: JJAYTVNXQGPXPE-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC=CC=1NCCCCCCCCNC1C=CC=CC=1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 386.19540532Da
  • Monoisotopic Mass: 386.19540532Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 11
  • Complexity: 424
  • 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
  • XLogP3: 6.9
  • Topological Polar Surface Area: 116?2

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