Cas no 14900-89-1 (Benzoic acid,3,3'-[iminobis(methylene)]bis- (9CI))

Benzoic acid,3,3'-[iminobis(methylene)]bis- (9CI) structure
14900-89-1 structure
Product Name:Benzoic acid,3,3'-[iminobis(methylene)]bis- (9CI)
CAS No:14900-89-1
MF:C16H15NO4
MW:285.294604539871
CID:120694
PubChem ID:1519409
Update Time:2025-04-18

Benzoic acid,3,3'-[iminobis(methylene)]bis- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3,3'-[iminobis(methylene)]bis- (9CI)
    • 3,3'-(iminodimethanediyl)dibenzoic acid
    • 3,3'-[Iminobis(methylene)]dibenzoic acid
    • BIS-(3-AMINOMETHYLBENZOIC ACID)
    • MFCD06858473
    • 14900-89-1
    • 3-[[(3-carboxyphenyl)methylamino]methyl]benzoic Acid
    • Inchi: 1S/C16H15NO4/c18-15(19)13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(8-12)16(20)21/h1-8,17H,9-10H2,(H,18,19)(H,20,21)
    • InChI Key: OFHSSZSILFRLMN-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)CNCC1C=CC=C(C(=O)O)C=1)=O

Computed Properties

  • Exact Mass: 285.10015
  • Monoisotopic Mass: 285.10010796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 337
  • 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: -0.4
  • Topological Polar Surface Area: 86.6?2

Experimental Properties

  • PSA: 86.63
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