Cas no 6828-42-8 (4,4-bis(n,n-dibutyric acid))

4,4-bis(n,n-dibutyric acid) structure
4,4-bis(n,n-dibutyric acid) structure
Product Name:4,4-bis(n,n-dibutyric acid)
CAS No:6828-42-8
MF:C8H15NO4
MW:189.209002733231
CID:969869
PubChem ID:4072500
Update Time:2025-04-19

4,4-bis(n,n-dibutyric acid) Chemical and Physical Properties

Names and Identifiers

    • 4,4-bis(n,n-dibutyric acid)
    • 4-(3-carboxypropylamino)butanoic Acid
    • 4,4'-AZANEDIYLDIBUTYRIC ACID
    • AKOS006278404
    • AT37422
    • SCHEMBL112741
    • 6828-42-8
    • Inchi: 1S/C8H15NO4/c10-7(11)3-1-5-9-6-2-4-8(12)13/h9H,1-6H2,(H,10,11)(H,12,13)
    • InChI Key: HBUXNNBOWNIKNE-UHFFFAOYSA-N
    • SMILES: OC(CCCNCCCC(=O)O)=O

Computed Properties

  • Exact Mass: 189.10000
  • Monoisotopic Mass: 189.10010796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 8
  • Complexity: 152
  • 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: -2.8
  • Topological Polar Surface Area: 86.6?2

Experimental Properties

  • PSA: 86.63000
  • LogP: 0.69650
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