Cas no 19500-94-8 (9,10-Anthracenedione,2-acetyl-1,4-diamino-)

9,10-Anthracenedione,2-acetyl-1,4-diamino- structure
19500-94-8 structure
Product Name:9,10-Anthracenedione,2-acetyl-1,4-diamino-
CAS No:19500-94-8
MF:C16H12N2O3
MW:280.27808380127
CID:178635
PubChem ID:88094
Update Time:2025-04-19

9,10-Anthracenedione,2-acetyl-1,4-diamino- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione,2-acetyl-1,4-diamino-
    • 2-acetyl-1,4-diaminoanthracene-9,10-dione
    • 2-acetyl-1,4-diaminoanthraquinone
    • 2-acetyl-1,4-diamino-10-anthracenedione
    • Einecs 243-113-2
    • 2-Acetyl-1,4-diamino-9,10-anthracenedione
    • SCHEMBL9348887
    • W-110498
    • Q2MG5W5UHB
    • DTXSID3066502
    • NS00026359
    • 19500-94-8
    • Anthraquinone, 2-acetyl-1,4-diamino-
    • 9,10-Anthracenedione, 2-acetyl-1,4-diamino-
    • Inchi: 1S/C16H12N2O3/c1-7(19)10-6-11(17)12-13(14(10)18)16(21)9-5-3-2-4-8(9)15(12)20/h2-6H,17-18H2,1H3
    • InChI Key: GUUWHMTVVVFXIF-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(C2=C(C=C(C(C)=O)C(=C21)N)N)=O

Computed Properties

  • Exact Mass: 280.08486
  • Monoisotopic Mass: 280.084792
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 490
  • 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
  • Topological Polar Surface Area: 103
  • XLogP3: 2.3

Experimental Properties

  • Density: 1.436
  • Boiling Point: 605°Cat760mmHg
  • Flash Point: 319.7°C
  • Refractive Index: 1.721
  • PSA: 103.25
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