Cas no 3623-90-3 (2,2'-butane-1,4-diylbis(1H-isoindole-1,3(2H)-dione))

2,2'-butane-1,4-diylbis(1H-isoindole-1,3(2H)-dione) structure
3623-90-3 structure
Product Name:2,2'-butane-1,4-diylbis(1H-isoindole-1,3(2H)-dione)
CAS No:3623-90-3
MF:C20H16N2O4
MW:348.352045059204
CID:1478252
PubChem ID:254440
Update Time:2025-04-21

2,2'-butane-1,4-diylbis(1H-isoindole-1,3(2H)-dione) Chemical and Physical Properties

Names and Identifiers

    • 2,2'-butane-1,4-diylbis(1H-isoindole-1,3(2H)-dione)
    • 2-[4-(1,3-dioxoisoindol-2-yl)butyl]isoindole-1,3-dione
    • 2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-1H-isoindole-1,3(2H)-dione
    • NSC-78819
    • SCHEMBL6790333
    • AKOS002470467
    • DS-003853
    • NSC78819
    • 3623-90-3
    • 2,2'-(butane-1,4-diyl)bis(isoindoline-1,3-dione)
    • DTXSID20291872
    • 1H-isoindole-1,3(2H)-dione, 2,2'-(1,4-butanediyl)bis-
    • AG-219/04451004
    • COSACTFNSNCYHS-UHFFFAOYSA-N
    • Inchi： 1S/C20H16N2O4/c23-17-13-7-1-2-8-14(13)18(24)21(17)11-5-6-12-22-19(25)15-9-3-4-10-16(15)20(22)26/h1-4,7-10H,5-6,11-12H2
    • InChI Key： COSACTFNSNCYHS-UHFFFAOYSA-N
    • SMILES： O=C1C2C=CC=CC=2C(N1CCCCN1C(C2C=CC=CC=2C1=O)=O)=O

Computed Properties

  • Exact Mass: 348.11108
  • Monoisotopic Mass: 348.11100700g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 529
  • 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: 2.9
  • Topological Polar Surface Area: 74.8?2

Experimental Properties

  • PSA: 74.76

2,2'-butane-1,4-diylbis(1H-isoindole-1,3(2H)-dione) Related Literature

3623-90-3 (2,2'-butane-1,4-diylbis(1H-isoindole-1,3(2H)-dione)) Related Products

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