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CAS 1334532-21-6

:

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

Description:
1-Propanaminium, 3-carboxy-N,N-dimethyl-N-(methyl-d3)-2-(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 dimethylamino group. The presence of the methyl-d3 label indicates that it contains deuterated methyl groups, which can be useful in studies involving isotopic labeling. This compound is likely to exhibit amphiphilic properties due to the combination of hydrophilic (carboxylic acid and quaternary ammonium) and hydrophobic (butoxy) components, making it potentially useful in applications such as surfactants, emulsifiers, or drug delivery systems. The chloride ion serves as a counterion, contributing to the solubility and stability of the compound in aqueous solutions. Its chirality, indicated by the (2R) designation, suggests that it may exhibit specific biological activity or interactions, which could be relevant in pharmacological contexts. Overall, this compound's unique structural features position it as a candidate for various chemical and biological applications.
Formula:C11H19D3NO4·Cl
InChI:InChI=1S/C11H21NO4.ClH/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4;/h9H,5-8H2,1-4H3;1H/t9-;/m1./s1/i2D3;
InChI key:InChIKey=SRYJSBLNSDMCEA-VGBYKQEUSA-N
SMILES:[C@H](OC(CCC)=O)(C[N+](C([2H])([2H])[2H])(C)C)CC(O)=O.[Cl-]
Synonyms:
  • 1-Propanaminium, 3-carboxy-N,N-dimethyl-N-(methyl-d3)-2-(1-oxobutoxy)-, chloride (1:1), (2R)-
  • (3R)-3-Butanoyloxy-4-(dimethyl-(trideuteriomethyl)azaniumyl)butanoate hydrochloride
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