Substance
  • Substance Name: choline butanoate
  • Formula: C9H21NO3
  • Molecular Weight: 191.27 g/mol
  • Identifiers:
    • inchi: InChI=1S/C5H14NO.C4H8O2/c1-6(2,3)4-5-7;1-2-3-4(5)6/h7H,4-5H2,1-3H3;2-3H2,1H3,(H,5,6)/q+1;/p-1
    • inchikey: AMQNMEQRQMMFKV-UHFFFAOYSA-M
    • csmiles: CCCC(=O)[O-].C[N+](C)(C)CCO
    • ismiles: CCCC(=O)[O-].C[N+](C)(C)CCO
    • pubchemId: 19005306
    • iupacname: butanoate;2-hydroxyethyl(trimethyl)azanium
choline butanoate
Systems and Datasets