Cas no 765288-60-6 (Benzoic acid, 5-amino-2-[(4-methylphenyl)amino]-)

Benzoic acid, 5-amino-2-[(4-methylphenyl)amino]- structure
765288-60-6 structure
Product Name:Benzoic acid, 5-amino-2-[(4-methylphenyl)amino]-
CAS No:765288-60-6
MF:C14H14N2O2
MW:242.273163318634
CID:537638
PubChem ID:23333216
Update Time:2025-04-19

Benzoic acid, 5-amino-2-[(4-methylphenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 5-amino-2-[(4-methylphenyl)amino]-
    • 5-amino-2-(4-methylanilino)benzoic acid
    • DTXSID90633023
    • SCHEMBL11417902
    • AKOS005794882
    • 765288-60-6
    • Inchi: 1S/C14H14N2O2/c1-9-2-5-11(6-3-9)16-13-7-4-10(15)8-12(13)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
    • InChI Key: VKSDHRREQXMZDO-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C=CC=1NC1C=CC(C)=CC=1)N)=O

Computed Properties

  • Exact Mass: 242.10562
  • Monoisotopic Mass: 242.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 288
  • 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: 4
  • Topological Polar Surface Area: 75.4?2

Experimental Properties

  • PSA: 75.35
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