Cas no 28819-88-7 (N,n'-bis(3-nitrophenyl)hexanediamide)

N,n'-bis(3-nitrophenyl)hexanediamide structure
28819-88-7 structure
Product Name:N,n'-bis(3-nitrophenyl)hexanediamide
CAS No:28819-88-7
MF:C18H18N4O6
MW:386.358724117279
CID:1437731
PubChem ID:5210118
Update Time:2025-04-20

N,n'-bis(3-nitrophenyl)hexanediamide Chemical and Physical Properties

Names and Identifiers

    • N,n'-bis(3-nitrophenyl)hexanediamide
    • AC1NPU3U
    • ARONIS006818
    • MolPort-001-026-511
    • STL069555
    • ZINC04542679
    • AKOS000496425
    • MCULE-9844161395
    • Hexanediamide, N,N'-bis(3-nitrophenyl)-
    • KB-102779
    • AC1NPU3U; ARONIS006818; MolPort-001-026-511; STL069555; ZINC04542679; AKOS000496425; MCULE-9844161395; Hexanediamide, N,N'-bis(3-nitrophenyl)-; KB-102779;
    • DTXSID10410171
    • 28819-88-7
    • N(1),N(6)-BIS(3-NITROPHENYL)HEXANEDIAMIDE
    • Inchi: 1S/C18H18N4O6/c23-17(19-13-5-3-7-15(11-13)21(25)26)9-1-2-10-18(24)20-14-6-4-8-16(12-14)22(27)28/h3-8,11-12H,1-2,9-10H2,(H,19,23)(H,20,24)
    • InChI Key: ZLSAWEWARGDALZ-UHFFFAOYSA-N
    • SMILES: O=C(CCCCC(NC1C=CC=C(C=1)[N+](=O)[O-])=O)NC1C=CC=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 386.12263431g/mol
  • Monoisotopic Mass: 386.12263431g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 7
  • Complexity: 523
  • 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: 2.2
  • Topological Polar Surface Area: 150?2
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