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CAS 1334532-23-8

:

1-Propanaminium, 3-carboxy-N,N,N-tri(methyl-d3)-2-(3-methyl-1-oxobutoxy)-, chloride (1:1), (2R)-

Description:
1-Propanaminium, 3-carboxy-N,N,N-tri(methyl-d3)-2-(3-methyl-1-oxobutoxy)-, chloride (1:1), (2R)- is a quaternary ammonium compound characterized by its complex structure, which includes a propanaminium backbone, a carboxylic acid functional group, and a tri-methylated nitrogen atom. The presence of deuterated methyl groups (methyl-d3) indicates that this compound has been isotopically labeled, which can be useful in various analytical applications, including NMR spectroscopy. The compound also features a 3-methyl-1-oxobutoxy substituent, contributing to its hydrophobic characteristics. As a chloride salt, it is likely to be soluble in polar solvents, and its quaternary ammonium nature suggests potential applications in surfactants, antimicrobial agents, or as a phase transfer catalyst. The specific stereochemistry indicated by (2R)- suggests that it has a defined spatial arrangement, which can influence its biological activity and interactions. Overall, this compound's unique structural features make it of interest in both synthetic and medicinal chemistry contexts.
Formula:C12H15D9NO4·Cl
InChI:InChI=1S/C12H23NO4.ClH/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5;/h9-10H,6-8H2,1-5H3;1H/t10-;/m1./s1/i3D3,4D3,5D3;
InChI key:InChIKey=HWDFIOSIRGUUSM-UGYZPRMBSA-N
SMILES:[C@H](OC(CC(C)C)=O)(C[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])CC(O)=O.[Cl-]
Synonyms:
  • 1-Propanaminium, 3-carboxy-N,N,N-tri(methyl-d3)-2-(3-methyl-1-oxobutoxy)-, chloride (1:1), (2R)-
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