Cas no 61363-34-6 (Benzoic acid, 3,3'-[[(phenylmethyl)imino]bis(methylene)]bis-)

Benzoic acid, 3,3'-[[(phenylmethyl)imino]bis(methylene)]bis- structure
61363-34-6 structure
Product Name:Benzoic acid, 3,3'-[[(phenylmethyl)imino]bis(methylene)]bis-
CAS No:61363-34-6
MF:C23H21NO4
MW:375.417146444321
CID:482301
PubChem ID:21498572
Update Time:2025-04-19

Benzoic acid, 3,3'-[[(phenylmethyl)imino]bis(methylene)]bis- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3,3'-[[(phenylmethyl)imino]bis(methylene)]bis-
    • 3-[[benzyl-[(3-carboxyphenyl)methyl]amino]methyl]benzoic acid
    • 61363-34-6
    • 3,3'-[(Benzylazanediyl)bis(methylene)]dibenzoic acid
    • DTXSID70615029
    • SCHEMBL11811255
    • Inchi: 1S/C23H21NO4/c25-22(26)20-10-4-8-18(12-20)15-24(14-17-6-2-1-3-7-17)16-19-9-5-11-21(13-19)23(27)28/h1-13H,14-16H2,(H,25,26)(H,27,28)
    • InChI Key: ZKRABJMWWZYXHD-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)CN(CC1C=CC=CC=1)CC1C=CC=C(C(=O)O)C=1)=O

Computed Properties

  • Exact Mass: 375.14713
  • Monoisotopic Mass: 375.14705815g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 8
  • Complexity: 481
  • 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: 1.5
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • PSA: 77.84
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