Cas no 81254-00-4 (2,7-Bis(2-(dimethylamino)ethyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2 H,7H)-tetrone dihydrobromide)

2,7-Bis(2-(dimethylamino)ethyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2 H,7H)-tetrone dihydrobromide structure
81254-00-4 structure
Product Name:2,7-Bis(2-(dimethylamino)ethyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2 H,7H)-tetrone dihydrobromide
CAS No:81254-00-4
MF:C22H26Br2N4O4
MW:570.274243831635
CID:986562
PubChem ID:157463
Update Time:2025-04-20

2,7-Bis(2-(dimethylamino)ethyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2 H,7H)-tetrone dihydrobromide Chemical and Physical Properties

Names and Identifiers

    • 2,7-Bis(2-(dimethylamino)ethyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2 H,7H)-tetrone dihydrobromide
    • AC1L4I36
    • 2,7-Bis(2-(dimethylamino)ethyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2H,7H)-tetrone dihydrobromide
    • Benzo(lmn)(3,8)phenanthroline-1,3,6,8(2H,7H)-tetrone, 2,7-bis(2-(dimethylamino)ethyl)-, dihydrobromide
    • DTXSID20230988
    • 81254-00-4
    • Inchi: 1S/C22H24N4O4.2BrH/c1-23(2)9-11-25-19(27)13-5-7-15-18-16(8-6-14(17(13)18)20(25)28)22(30)26(21(15)29)12-10-24(3)4;;/h5-8H,9-12H2,1-4H3;2*1H
    • InChI Key: URQFRTBLIAJQSB-UHFFFAOYSA-N
    • SMILES: Br.Br.O=C1C2=CC=C3C(N(CCN(C)C)C(C4C=CC(C(N1CCN(C)C)=O)=C2C3=4)=O)=O

Computed Properties

  • Exact Mass: 570.03003g/mol
  • Monoisotopic Mass: 568.03208g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 6
  • Complexity: 641
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 81.2?2

2,7-Bis(2-(dimethylamino)ethyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2 H,7H)-tetrone dihydrobromide Related Literature

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