Cas no 144120-51-4 (Methylcyclopentane-d12)

Methylcyclopentane-d12 (C6D12) is a deuterated analog of methylcyclopentane, where all hydrogen atoms are replaced with deuterium. This isotopically labeled compound is primarily used as a solvent and internal standard in nuclear magnetic resonance (NMR) spectroscopy, offering minimal interference with proton signals due to its high isotopic purity (>98% D). Its chemical stability and predictable spectral properties make it valuable for mechanistic studies, reaction monitoring, and quantitative analysis in organic and organometallic chemistry. The compound’s inertness and low reactivity further enhance its utility in isotopic labeling experiments, ensuring reliable data in spectroscopic and kinetic research applications.
Methylcyclopentane-d12 structure
Methylcyclopentane-d12 structure
Product Name:Methylcyclopentane-d12
CAS No:144120-51-4
MF:C6H12
MW:96.2334222793579
MDL:MFCD00209759
CID:108620
PubChem ID:90470039
Update Time:2025-06-07

Methylcyclopentane-d12 Chemical and Physical Properties

Names and Identifiers

    • Cyclopentane-d9,methyl-d3- (9CI)
    • METHYLCYCLOPENTANE-D12
    • 1,1,2,2,3,3,4,4,5-nonadeuterio-5-(trideuteriomethyl)cyclopentane
    • 144120-51-4
    • dodecadeuteromethylcyclopentane
    • D99185
    • Methylcyclopentane-d12
    • MDL: MFCD00209759
    • Inchi: 1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D
    • InChI Key: GDOPTJXRTPNYNR-PSDCQUMKSA-N
    • SMILES: C1([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

Computed Properties

  • Exact Mass: 96.169221334g/mol
  • Monoisotopic Mass: 96.169221334g/mol
  • Isotope Atom Count: 12
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 33.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 0?2

Methylcyclopentane-d12 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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