Cas no 53764-58-2 (Benzonitrile, 4-[[[4-(decyloxy)phenyl]methylene]amino]-)

Benzonitrile, 4-[[[4-(decyloxy)phenyl]methylene]amino]- structure
53764-58-2 structure
Product Name:Benzonitrile, 4-[[[4-(decyloxy)phenyl]methylene]amino]-
CAS No:53764-58-2
MF:C24H30N2O
MW:362.507806301117
CID:356419
PubChem ID:71365043
Update Time:2025-04-19

Benzonitrile, 4-[[[4-(decyloxy)phenyl]methylene]amino]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 4-[[[4-(decyloxy)phenyl]methylene]amino]-
    • 4-[(4-decoxyphenyl)methylideneamino]benzonitrile
    • 4-[4-(n-decyloxy)benzylideneamino] benzonitrile
    • 4-[(E)-{[4-(Decyloxy)phenyl]methylidene}amino]benzonitrile
    • 4-cyano-N-[4-n-decyloxy-benzylidene]aniline
    • 53764-58-2
    • 4-[4-(n-Decyloxy)benzylideneamino]benzonitrile
    • DTXSID60788478
    • Inchi: 1S/C24H30N2O/c1-2-3-4-5-6-7-8-9-18-27-24-16-12-22(13-17-24)20-26-23-14-10-21(19-25)11-15-23/h10-17,20H,2-9,18H2,1H3/b26-20+
    • InChI Key: GKDSGDDSYDQNFP-LHLOQNFPSA-N
    • SMILES: O(C1C=CC(/C=N/C2C=CC(C#N)=CC=2)=CC=1)CCCCCCCCCC

Computed Properties

  • Exact Mass: 362.236
  • Monoisotopic Mass: 362.235813585g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 12
  • Complexity: 437
  • 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: 7.4
  • Topological Polar Surface Area: 45.4?2

Experimental Properties

  • PSA: 45.38
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