Cas no 119451-78-4 (1,4-Diazabicyclo2.2.2octane-d12)

1,4-Diazabicyclo[2.2.2]octane-d12 is a deuterated analog of the widely used organic base 1,4-diazabicyclo[2.2.2]octane (DABCO). The incorporation of deuterium atoms enhances its utility in nuclear magnetic resonance (NMR) spectroscopy and mechanistic studies, where isotopic labeling is critical for tracking molecular interactions and reaction pathways. This compound retains the strong basicity and catalytic properties of its non-deuterated counterpart while offering improved spectral resolution in deuterated solvents. Its stability and solubility in common organic solvents make it suitable for applications in synthetic chemistry, polymer science, and as a reference standard in analytical methodologies. The deuterated form is particularly valuable for minimizing signal interference in NMR experiments.
1,4-Diazabicyclo2.2.2octane-d12 structure
119451-78-4 structure
Product Name:1,4-Diazabicyclo2.2.2octane-d12
CAS No:119451-78-4
MF:C6H12N2
MW:124.246821403503
CID:1066197
PubChem ID:12254371
Update Time:2025-05-27

1,4-Diazabicyclo2.2.2octane-d12 Chemical and Physical Properties

Names and Identifiers

    • 1,4-Diazabicyclo[2.2.2]octane-d12
    • (<sup>2</sup>H<sub>12</sub>)-1,4-Diazabicyclo[2.2.2]octane
    • &amp
    • 1,4-Diazabicylo[2.2.2]octane-d12
    • Deutero-D12
    • T66 A B CN FNTJ &amp
    • CS-0566605
    • 119451-78-4
    • D99519
    • HY-Y0566S
    • 2,2,3,3,5,5,6,6,7,7,8,8-Dodecadeuterio-1,4-diazabicyclo[2.2.2]octane
    • DB-291084
    • 1,4-Diazabicyclo2.2.2octane-d12
    • Inchi： 1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
    • InChI Key： IMNIMPAHZVJRPE-LBTWDOQPSA-N
    • SMILES： N12C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C1([2H])[2H])C([2H])([2H])C2([2H])[2H]

Computed Properties

  • Exact Mass: 136.25064
  • Monoisotopic Mass: 124.175369343g/mol
  • Isotope Atom Count: 12
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 61.5
  • 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: -0.2
  • Topological Polar Surface Area: 6.5?2

Experimental Properties

  • PSA: 6.48

1,4-Diazabicyclo2.2.2octane-d12 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D417146-1mg
1,4-Diazabicyclo[2.2.2]octane-d12
 119451-78-4
1mg
 $ 64.00 2023-09-07
TRC
D417146-2mg
1,4-Diazabicyclo[2.2.2]octane-d12
 119451-78-4
2mg
 $81.00 2023-05-18
TRC
D417146-10mg
1,4-Diazabicyclo[2.2.2]octane-d12
 119451-78-4
10mg
 $ 196.00 2023-09-07

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