Cas no 5543-89-5 (1,4-Benzenediamine, N-ethyl-N-phenyl-)

1,4-Benzenediamine, N-ethyl-N-phenyl- structure
5543-89-5 structure
Product Name:1,4-Benzenediamine, N-ethyl-N-phenyl-
CAS No:5543-89-5
MF:C14H16N2
MW:212.290243148804
CID:351939
PubChem ID:10878483
Update Time:2025-04-19

1,4-Benzenediamine, N-ethyl-N-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine, N-ethyl-N-phenyl-
    • 4-N-ethyl-4-N-phenylbenzene-1,4-diamine
    • DTXSID20446840
    • 5543-89-5
    • SCHEMBL5843310
    • AKOS000146783
    • Inchi: 1S/C14H16N2/c1-2-16(13-6-4-3-5-7-13)14-10-8-12(15)9-11-14/h3-11H,2,15H2,1H3
    • InChI Key: HIWOQWICOFGBEQ-UHFFFAOYSA-N
    • SMILES: N(C1C=CC=CC=1)(C1C=CC(=CC=1)N)CC

Computed Properties

  • Exact Mass: 212.13148
  • Monoisotopic Mass: 212.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 191
  • 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: 3.8
  • Topological Polar Surface Area: 29.3?2

Experimental Properties

  • PSA: 29.26
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