Cas no 140846-94-2 (4-octanamidobutanoic acid)

4-octanamidobutanoic acid structure
4-octanamidobutanoic acid structure
Product Name:4-octanamidobutanoic acid
CAS No:140846-94-2
MF:C12H23NO3
MW:229.315923929214
MDL:MFCD11194701
CID:171768
PubChem ID:10105223
Update Time:2025-04-19

4-octanamidobutanoic acid Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,4-[(1-oxooctyl)amino]-
    • 4RO8
    • N-(Octanoylamino)butyric acid
    • N-Octanoyl-GABA
    • 4D2462W14W
    • 4-(octanoylamino)butanoic Acid
    • 4-octanamidobutanoicacid
    • 4-octanamidobutanoic acid
    • N-Capryloyl-4-aminobutyric acid
    • Q27259429
    • N-Octanoyl-4-aminobutyric acid
    • 140846-94-2
    • UNII-4D2462W14W
    • AKOS008119006
    • N-octanoyl-gamma-aminobutyric acid
    • Butanoic acid, 4-((1-oxooctyl)amino)-
    • CS-0258055
    • EN300-68948
    • MDL: MFCD11194701
    • Inchi: 1S/C12H23NO3/c1-2-3-4-5-6-8-11(14)13-10-7-9-12(15)16/h2-10H2,1H3,(H,13,14)(H,15,16)
    • InChI Key: VPSVFGVVDYMKMK-UHFFFAOYSA-N
    • SMILES: O=C(CCCCCCC)NCCCC(=O)O

Computed Properties

  • Exact Mass: 229.16789
  • Monoisotopic Mass: 229.16779360g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 10
  • Complexity: 204
  • 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: 2.4
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • PSA: 66.4

4-octanamidobutanoic acid Pricemore >>

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