Cas no 25632-22-8 (9,10-Anthracenedione,1,8-bis[(3-methylphenyl)amino]-)

9,10-Anthracenedione,1,8-bis[(3-methylphenyl)amino]- structure
25632-22-8 structure
Product Name:9,10-Anthracenedione,1,8-bis[(3-methylphenyl)amino]-
CAS No:25632-22-8
MF:C28H22N2O2
MW:418.486486911774
CID:282117
PubChem ID:117565
Update Time:2025-04-19

9,10-Anthracenedione,1,8-bis[(3-methylphenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione,1,8-bis[(3-methylphenyl)amino]-
    • 1,8-bis(3-methylanilino)anthracene-9,10-dione
    • 1,8-Bis((3-methylphenyl)amino)anthraquinone
    • 1,8-bis[(3-methylphenyl)amino]anthracene-9,10-dione
    • NS00052446
    • 1,8-bis(m-tolylamino)anthracene-9,10-dione
    • 25632-22-8
    • DTXSID40948492
    • EINECS 247-139-5
    • Inchi: 1S/C28H22N2O2/c1-17-7-3-9-19(15-17)29-23-13-5-11-21-25(23)28(32)26-22(27(21)31)12-6-14-24(26)30-20-10-4-8-18(2)16-20/h3-16,29-30H,1-2H3
    • InChI Key: YBCMHEIWORKATQ-UHFFFAOYSA-N
    • SMILES: O=C1C2C(=CC=CC=2C(C2C=CC=C(C=21)NC1C=CC=C(C)C=1)=O)NC1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 418.16826
  • Monoisotopic Mass: 418.168127949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 4
  • Complexity: 639
  • 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: 7.2
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • PSA: 58.2
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