Cas no 4210-90-6 (N~1~,N~1~'-benzene-1,4-diylbis{N-[4-(dipropylamino)phenyl]-N',N'-dipropylbenzene-1,4-diamine})

N~1~,N~1~'-benzene-1,4-diylbis{N-[4-(dipropylamino)phenyl]-N',N'-dipropylbenzene-1,4-diamine} structure
4210-90-6 structure
Product Name:N~1~,N~1~'-benzene-1,4-diylbis{N-[4-(dipropylamino)phenyl]-N',N'-dipropylbenzene-1,4-diamine}
CAS No:4210-90-6
MF:C54H76N6
MW:809.221453666687
CID:1513432
PubChem ID:77884
Update Time:2025-04-21

N~1~,N~1~'-benzene-1,4-diylbis{N-[4-(dipropylamino)phenyl]-N',N'-dipropylbenzene-1,4-diamine} Chemical and Physical Properties

Names and Identifiers

    • N~1~,N~1~'-benzene-1,4-diylbis{N-[4-(dipropylamino)phenyl]-N',N'-dipropylbenzene-1,4-diamine}
    • 1,4-Benzenediamine, N,N,N',N'-tetrakis(4-(dipropylamino)phenyl)-
    • 1,4-benzenediamine, N~1~,N~1'~-1,4-phenylenebis[N~1~-[4-(dipropylamino)phenyl]-N~4~,N~4~-dipropyl-
    • N~1~,N~1~'-1,4-Phenylenebis{N-[4-(dipropylamino)phenyl]-N',N'-dipropylbenzene-1,4-diamine}
    • JDKLLQSILNEKTJ-UHFFFAOYSA-N
    • 1,4-Benzenediamine, N,N,N',N'-tetrakis[4-(dipropylamino)phenyl]-
    • DTXSID1063354
    • 1,4-Benzenediamine, N1,N1,N4,N4-tetrakis(4-(dipropylamino)phenyl)-
    • SCHEMBL4224314
    • 4210-90-6
    • Inchi: 1S/C54H76N6/c1-9-37-55(38-10-2)45-17-25-49(26-18-45)59(50-27-19-46(20-28-50)56(39-11-3)40-12-4)53-33-35-54(36-34-53)60(51-29-21-47(22-30-51)57(41-13-5)42-14-6)52-31-23-48(24-32-52)58(43-15-7)44-16-8/h17-36H,9-16,37-44H2,1-8H3
    • InChI Key: JDKLLQSILNEKTJ-UHFFFAOYSA-N
    • SMILES: N(C1C=CC(=CC=1)N(CCC)CCC)(C1C=CC(=CC=1)N(CCC)CCC)C1C=CC(=CC=1)N(C1C=CC(=CC=1)N(CCC)CCC)C1C=CC(=CC=1)N(CCC)CCC

Computed Properties

  • Exact Mass: 808.61368
  • Monoisotopic Mass: 808.613
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 60
  • Rotatable Bond Count: 26
  • Complexity: 882
  • 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: 19.4A^2
  • XLogP3: 16

Experimental Properties

  • Density: 1.053
  • Boiling Point: 854.7°C at 760 mmHg
  • Flash Point: 328.3°C
  • Refractive Index: 1.607
  • PSA: 19.44
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