Cas no 35754-95-1 (4-bis(prop-2-en-1-yl)aminobenzoic acid)

4-Bis(prop-2-en-1-yl)aminobenzoic acid is a functionalized benzoic acid derivative featuring two allylamino substituents at the 4-position. This compound is of interest in organic synthesis and polymer chemistry due to its reactive allyl groups, which enable participation in radical or crosslinking reactions. The carboxylic acid moiety further enhances its utility as a building block for conjugation or derivatization. Its bifunctional nature allows for applications in the preparation of advanced materials, such as crosslinked polymers or photoactive systems. The compound's structure also suggests potential use in coordination chemistry or as an intermediate for pharmaceuticals and agrochemicals. Proper handling under inert conditions is recommended to preserve reactivity.
4-bis(prop-2-en-1-yl)aminobenzoic acid structure
35754-95-1 structure
Product Name:4-bis(prop-2-en-1-yl)aminobenzoic acid
CAS No:35754-95-1
MF:C13H15NO2
MW:217.263703584671
CID:321656
PubChem ID:283189
Update Time:2025-06-06

4-bis(prop-2-en-1-yl)aminobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-(di-2-propen-1-ylamino)-
    • 4-[bis(prop-2-enyl)amino]benzoic acid
    • 4-Diallylamino-benzoesaeure
    • 4-bis(prop-2-en-1-yl)aminobenzoic acid
    • AKOS000260080
    • DTXSID90300546
    • F1908-1740
    • 35754-95-1
    • 4-[bis(prop-2-en-1-yl)amino]benzoic acid
    • NSC-137547
    • 4-diallylamino-benzoic acid
    • 4-(diprop-2-en-1-ylamino)benzoic acid
    • NSC137547
    • SCHEMBL250420
    • Inchi: 1S/C13H15NO2/c1-3-9-14(10-4-2)12-7-5-11(6-8-12)13(15)16/h3-8H,1-2,9-10H2,(H,15,16)
    • InChI Key: LFOSPEFIHLUGKL-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)N(CC=C)CC=C)=O

Computed Properties

  • Exact Mass: 217.11000
  • Monoisotopic Mass: 217.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 245
  • 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: 2.9
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.54000
  • LogP: 2.56320

4-bis(prop-2-en-1-yl)aminobenzoic acid Pricemore >>

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