Cas no 1492-26-8 (1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt)

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt structure
1492-26-8 structure
Product Name:1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt
CAS No:1492-26-8
MF:C11H21NO4
MW:231.28874373436
CID:117756
PubChem ID:439829
Update Time:2025-04-18

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt Chemical and Physical Properties

Names and Identifiers

    • 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt
    • 3-butanoyloxy-4-(trimethylazaniumyl)butanoate
    • Butyroyl carnitine
    • Butyryl carnitine (isomer of 919)
    • carnitine butyrate
    • LMFA07070054
    • CHEBI:7676
    • R-BUTYRYL CARNITINE
    • DTXSID601151733
    • CHEMBL2074693
    • Butyryl-carnitine
    • O-Butanoylcarnitine
    • SCHEMBL237454
    • C02862
    • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt
    • QWYFHHGCZUCMBN-UHFFFAOYSA-N
    • 1492-26-8
    • 3-(Butyryloxy)-4-(trimethylammonio)butanoate
    • 3-(butanoyloxy)-4-(trimethylazaniumyl)butanoate
    • Q27107557
    • O-butyrylcarnitine
    • Acylcarnitine C4:0
    • Inchi： 1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3
    • InChI Key： QWYFHHGCZUCMBN-UHFFFAOYSA-N
    • SMILES： O(C(CCC)=O)C(CC(=O)[O-])C[N+](C)(C)C

Computed Properties

  • Exact Mass: 245.16279
  • Monoisotopic Mass: 231.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • PSA: 66.43

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt Related Literature

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