Cas no 79817-56-4 (9,10-Anthracenedione,1,4-bis[(2,4-diethyl-6-methylphenyl)amino]-)

9,10-Anthracenedione,1,4-bis[(2,4-diethyl-6-methylphenyl)amino]- structure
79817-56-4 structure
Product Name:9,10-Anthracenedione,1,4-bis[(2,4-diethyl-6-methylphenyl)amino]-
CAS No:79817-56-4
MF:C36H38N2O2
MW:530.699129581451
CID:566284
PubChem ID:16205333
Update Time:2025-04-19

9,10-Anthracenedione,1,4-bis[(2,4-diethyl-6-methylphenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione,1,4-bis[(2,4-diethyl-6-methylphenyl)amino]-
    • 1,4-bis(2,4-diethyl-6-methylanilino)anthracene-9,10-dione
    • 1,4-bis[(2,4-diethyl-6-methylphenyl)amino]anthraquinone
    • 1,4-Bis((2,4-diethyl-6-methylphenyl)amino)anthraquinone
    • 1,4-bis[(2,4-diethyl-6-methylphenyl)amino]anthracene-9,10-dione
    • EINECS 279-287-1
    • 1,4-Bis((2,4-diethyl-6-methylphenyl)amino)anthracene-9,10-dione
    • SCHEMBL20520540
    • NS00062132
    • DTXSID701000765
    • 79817-56-4
    • Inchi： 1S/C36H38N2O2/c1-7-23-17-21(5)33(25(9-3)19-23)37-29-15-16-30(38-34-22(6)18-24(8-2)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3
    • InChI Key： NKAUFZJYJFUFGD-UHFFFAOYSA-N
    • SMILES： O=C1C2C=CC=CC=2C(C2C(=CC=C(C=21)NC1C(C)=CC(CC)=CC=1CC)NC1C(C)=CC(CC)=CC=1CC)=O

Computed Properties

  • Exact Mass: 530.293328
  • Monoisotopic Mass: 530.293328
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 8
  • Complexity: 803
  • 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: 58.2
  • XLogP3: 11

Experimental Properties

  • Density: 1.166
  • Boiling Point: 642.5°C at 760 mmHg
  • Flash Point: 139.5°C
  • Refractive Index: 1.646

9,10-Anthracenedione,1,4-bis[(2,4-diethyl-6-methylphenyl)amino]- Related Literature

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