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CAS 5152-54-5

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Propane-1,1,1,3,3,3-d6,2,2-di(methyl-d3)- (6CI,7CI,8CI,9CI)

Description:
Propane-1,1,1,3,3,3-d6,2,2-di(methyl-d3) is a deuterated derivative of propane, where specific hydrogen atoms are replaced with deuterium, a stable isotope of hydrogen. This compound is characterized by its molecular structure, which includes a propane backbone with additional methyl groups, all of which are labeled with deuterium. The presence of deuterium enhances the compound's stability and alters its physical properties, such as boiling and melting points, compared to its non-deuterated counterparts. Deuterated compounds like this one are often used in various scientific applications, including NMR spectroscopy, where they serve as solvents or tracers due to their unique spectral signatures. The compound is typically colorless and odorless, similar to other hydrocarbons, and is handled with standard safety precautions associated with flammable organic substances. Its specific isotopic labeling makes it valuable in research fields such as organic chemistry, biochemistry, and pharmacology, where tracking molecular pathways or interactions is essential.
Formula:C5D12
InChI:InChI=1S/C5H12/c1-5(2,3)4/h1-4H3/i1D3,2D3,3D3,4D3
InChI key:CRSOQBOWXPBRES-MGKWXGLJSA-N
SMILES:[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Synonyms:
  • 2,2-Dimethylpropane-d12
  • Neopentane-d12
  • Perdeuteroneopentane
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