Cas no 114191-64-9 (Benzamide,N-(4-aminobutyl)-2,3-dihydroxy-)

Benzamide,N-(4-aminobutyl)-2,3-dihydroxy- structure
114191-64-9 structure
Product Name:Benzamide,N-(4-aminobutyl)-2,3-dihydroxy-
CAS No:114191-64-9
MF:C11H16N2O3
MW:224.256342887878
CID:222195
PubChem ID:85550078
Update Time:2025-04-19

Benzamide,N-(4-aminobutyl)-2,3-dihydroxy- Chemical and Physical Properties

Names and Identifiers

    • Benzamide,N-(4-aminobutyl)-2,3-dihydroxy-
    • Aminochelin
    • N-(4-AMINOBUTYL)-2,3-DIHYDROXYBENZAMIDE
    • Benzamide, N-(4-aminobutyl)-2,3-dihydroxy-
    • 114191-64-9
    • 2,3-dihydroxybenzoylputrescine
    • CHEBI:221327
    • SCHEMBL18285172
    • Inchi: 1S/C11H16N2O3/c12-6-1-2-7-13-11(16)8-4-3-5-9(14)10(8)15/h3-5,14-15H,1-2,6-7,12H2,(H,13,16)
    • InChI Key: FZYQWMMQZJYKMY-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=C(C=1O)O)NCCCCN

Computed Properties

  • Exact Mass: 224.11618
  • Monoisotopic Mass: 224.11609238g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 223
  • 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: 0.7
  • Topological Polar Surface Area: 95.6?2

Experimental Properties

  • PSA: 95.58
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