Cas no 59222-15-0 (9,10-Anthracenedione, 2-amino-1-(methylamino)-)

9,10-Anthracenedione, 2-amino-1-(methylamino)- structure
59222-15-0 structure
Product Name:9,10-Anthracenedione, 2-amino-1-(methylamino)-
CAS No:59222-15-0
MF:C15H12N2O2
MW:252.267983436584
CID:339441
PubChem ID:12262010
Update Time:2025-04-19

9,10-Anthracenedione, 2-amino-1-(methylamino)- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione, 2-amino-1-(methylamino)-
    • 2-amino-1-(methylamino)anthracene-9,10-dione
    • DTXSID30482936
    • 59222-15-0
    • Inchi: 1S/C15H12N2O2/c1-17-13-11(16)7-6-10-12(13)15(19)9-5-3-2-4-8(9)14(10)18/h2-7,17H,16H2,1H3
    • InChI Key: NATIRVKBCIJOSA-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(C2=CC=C(C(=C21)NC)N)=O

Computed Properties

  • Exact Mass: 252.08996
  • Monoisotopic Mass: 252.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 396
  • 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: 2.7
  • Topological Polar Surface Area: 72.2?2

Experimental Properties

  • PSA: 72.19
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