Cas no 92726-05-1 ( )

  structure
  structure
Product Name: 
CAS No:92726-05-1
MF:C15H23NO2
MW:249.34862446785
CID:998858
PubChem ID:296063
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • 4-(dibutylamino)benzoic acid
    • CS-0116781
    • 92726-05-1
    • Benzoic acid, 4-(dibutylamino)-
    • AKOS009256932
    • SCHEMBL472266
    • DTXSID50918989
    • 5171-80-2
    • NSC-165845
    • NSC165845
    • p-dibutylaminobenzoic acid
    • ZA4TSP8TWK
    • HSVJMWXLGNHXNV-UHFFFAOYSA-N
    •  
    • Inchi: 1S/C15H23NO2/c1-3-5-11-16(12-6-4-2)14-9-7-13(8-10-14)15(17)18/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)
    • InChI Key: HSVJMWXLGNHXNV-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)N(CCCC)CCCC)=O

Computed Properties

  • Exact Mass: 249.172878976g/mol
  • Monoisotopic Mass: 249.172878976g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 227
  • 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: 4.1
  • Topological Polar Surface Area: 40.5?2
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