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CAS 10457-99-5

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1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-oxo-, inner salt

Description:
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-oxo-, inner salt, commonly referred to as a zwitterionic compound, exhibits unique characteristics due to its dual ionic nature. This substance features a positively charged ammonium group and a negatively charged carboxylate group, which contribute to its solubility in polar solvents, particularly water. The presence of the trimethylammonium moiety enhances its hydrophilicity, making it suitable for various applications in biochemical and pharmaceutical contexts. The inner salt structure indicates that the molecule can exist in a stable form without the need for counterions, which is significant for its stability and reactivity. Additionally, the 2-oxo group suggests potential reactivity in condensation reactions or as a site for further functionalization. Overall, this compound's zwitterionic nature, solubility, and functional groups make it an interesting subject for studies in organic synthesis and biological interactions.
Formula:C7H13NO3
InChI:InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3
InChI key:InChIKey=YNOWULSFLVIUDH-UHFFFAOYSA-N
SMILES:C([N+](C)(C)C)C(CC([O-])=O)=O
Synonyms:
  • 3-Dehydrocarnitine
  • Ammonium, (3-carboxyacetonyl)trimethyl-, hydroxide, inner salt
  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-oxo-, inner salt
  • (3-Carboxy-2-oxopropyl)trimethylammonium hydroxide inner salt
  • Dehydrocarnitine
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