Cas no 41576-36-7 (1,4-Benzenedicarboxylicacid, 2,5-bis[(methylphenyl)amino]-)

1,4-Benzenedicarboxylicacid, 2,5-bis[(methylphenyl)amino]- structure
41576-36-7 structure
Product Name:1,4-Benzenedicarboxylicacid, 2,5-bis[(methylphenyl)amino]-
CAS No:41576-36-7
MF:C22H20N2O4
MW:376.405205726624
CID:332021
PubChem ID:109629
Update Time:2025-04-19

1,4-Benzenedicarboxylicacid, 2,5-bis[(methylphenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylicacid, 2,5-bis[(methylphenyl)amino]-
    • 2,5-bis[(methylphenyl)amino]terephthalic acid
    • 2,5-Bis((methylphenyl)amino)terephthalic acid
    • 1,4-Benzenedicarboxylic acid, 2,5-bis((2-methylphenyl)amino)-
    • 68140-99-8
    • EINECS 268-821-9
    • Terephthalic acid, 2,5-bis(o-toluidino)-
    • EINECS 255-447-6
    • SCHEMBL4186922
    • DTXSID0071178
    • 41576-36-7
    • NS00036442
    • 2,5-bis(o-tolylamino)terephthalic acid
    • 2,5-Bis((2-methylphenyl)amino)terephthalic acid
    • 2,5-Di-o-toluidinoterephthalic acid
    • Inchi： 1S/C22H20N2O4/c1-13-7-3-5-9-17(13)23-19-11-16(22(27)28)20(12-15(19)21(25)26)24-18-10-6-4-8-14(18)2/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)
    • InChI Key： XJNWPYYRBAQKNJ-UHFFFAOYSA-N
    • SMILES： OC(C1C=C(C(C(=O)O)=CC=1NC1C=CC=CC=1C)NC1C=CC=CC=1C)=O

Computed Properties

  • Exact Mass: 376.142
  • Monoisotopic Mass: 376.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 507
  • 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: 5.9
  • Topological Polar Surface Area: 98.7?2

Experimental Properties

  • Density: 1.348
  • Boiling Point: 561.2°Cat760mmHg
  • Flash Point: 293.2°C
  • Refractive Index: 1.705

1,4-Benzenedicarboxylicacid, 2,5-bis[(methylphenyl)amino]- Related Literature

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