Cas no 94196-28-8 (1,4-Benzenediamine,N1,N1-dioctyl-)

1,4-Benzenediamine,N1,N1-dioctyl- structure
94196-28-8 structure
Product Name:1,4-Benzenediamine,N1,N1-dioctyl-
CAS No:94196-28-8
MF:C22H40N2
MW:332.56640625
CID:815736
PubChem ID:175595
Update Time:2025-04-19

1,4-Benzenediamine,N1,N1-dioctyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine,N1,N1-dioctyl-
    • 4-N,4-N-dioctylbenzene-1,4-diamine
    • N'-dioctyl-p-phenylenediamine
    • N~1~,N~1~-Dioctylbenzene-1,4-diamine
    • SCHEMBL294502
    • 94196-28-8
    • DTXSID50916203
    • Inchi: 1S/C22H40N2/c1-3-5-7-9-11-13-19-24(20-14-12-10-8-6-4-2)22-17-15-21(23)16-18-22/h15-18H,3-14,19-20,23H2,1-2H3
    • InChI Key: CKMBEBRHYZPOJI-UHFFFAOYSA-N
    • SMILES: N(C1C=CC(=CC=1)N)(CCCCCCCC)CCCCCCCC

Computed Properties

  • Exact Mass: 332.319
  • Monoisotopic Mass: 332.319
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 15
  • Complexity: 243
  • 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: 8.2
  • Topological Polar Surface Area: 29.3?2

Experimental Properties

  • Density: 0.921
  • Boiling Point: 454.9°Cat760mmHg
  • Flash Point: 220.4°C
  • Refractive Index: 1.519

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