Cas no 33945-50-5 (Diacetamide-d7)

Diacetamide-d7 is a deuterated form of diacetamide, where seven hydrogen atoms are replaced by deuterium. This isotopic labeling enhances its utility in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), providing improved signal resolution and reduced background interference in analytical studies. Its high isotopic purity (>98%) ensures reliable data for mechanistic investigations, metabolic studies, and chemical reaction tracking. The compound’s stability under standard conditions makes it suitable for long-term experimental use. Diacetamide-d7 is particularly valuable in pharmaceutical and biochemical research, where precise molecular tracing is required. Its compatibility with organic solvents further expands its applicability in synthetic and analytical workflows.
Diacetamide-d7 structure
Diacetamide-d7 structure
Product Name:Diacetamide-d7
CAS No:33945-50-5
MF:C4H7NO2
MW:108.14701294899
CID:294534
PubChem ID:102601075
Update Time:2025-05-25

Diacetamide-d7 Chemical and Physical Properties

Names and Identifiers

    • Acetamide-N,2,2,2-d4,N-(acetyl-d3)- (9CI)
    • Diacetamide-d7(8CI)
    • F90721
    • 33945-50-5
    • DIACETAMIDE-D7
    • N,2,2,2-tetradeuterio-N-(2,2,2-trideuterioacetyl)acetamide
    • HY-W130303S
    • CS-0590278
    • Diacetamide-d7
    • Inchi: 1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)/i1D3,2D3/hD
    • InChI Key: ZSBDPRIWBYHIAF-KBKLHOFPSA-N
    • SMILES: O=C(C([2H])([2H])[2H])N([2H])C(C([2H])([2H])[2H])=O

Computed Properties

  • Exact Mass: 108.091615688g/mol
  • Monoisotopic Mass: 108.091615688g/mol
  • Isotope Atom Count: 7
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 85.9
  • 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: -1.4
  • Topological Polar Surface Area: 46.2?2

Diacetamide-d7 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A134563-2.5mg
Diacetamide-d7
33945-50-5
2.5mg
$ 64.00 2023-09-09
TRC
A134563-5mg
Diacetamide-d7
33945-50-5
5mg
$ 81.00 2023-09-09
TRC
A134563-25mg
Diacetamide-d7
33945-50-5
25mg
$ 196.00 2023-04-19

Additional information on Diacetamide-d7

Diacetamide-d7: A Comprehensive Overview

Diacetamide-d7, also known by its CAS number 33945-50-5, is a specialized compound that has gained significant attention in the fields of organic synthesis and analytical chemistry. This compound is a deuterated derivative of diacetamide, which makes it particularly valuable for its unique properties in various scientific applications. The inclusion of deuterium atoms in its molecular structure not only enhances its stability but also provides researchers with a powerful tool for studying chemical reactions and molecular interactions at a detailed level.

The synthesis of Diacetamide-d7 involves a precise process where deuterium is incorporated into the molecule, replacing hydrogen atoms in specific positions. This process ensures that the compound retains its core chemical properties while introducing deuterium, which is heavier than hydrogen. This substitution is crucial for applications such as nuclear magnetic resonance (NMR) spectroscopy, where the presence of deuterium can provide clearer signals and improve the resolution of spectral data. Recent advancements in synthetic methodologies have made the production of Diacetamide-d7 more efficient and scalable, making it accessible for a broader range of research and industrial applications.

In terms of physical properties, Diacetamide-d7 exhibits a melting point of approximately 125°C and a boiling point around 200°C under standard conditions. Its solubility in common organic solvents such as dichloromethane and acetonitrile makes it suitable for use in various chemical reactions. The compound's stability under normal storage conditions further enhances its utility in long-term experimental setups. Researchers have also explored the use of Diacetamide-d7 in peptide synthesis, where its role as a protecting group has been extensively studied. Recent studies have demonstrated that the deuterated version can significantly improve the yield and purity of synthesized peptides, making it an indispensable reagent in this field.

The application of Diacetamide-d7 extends beyond organic synthesis into the realm of analytical chemistry. In mass spectrometry (MS), the presence of deuterium allows for precise isotopic labeling, enabling researchers to track molecular transformations with high accuracy. This capability has been instrumental in elucidating reaction mechanisms and identifying intermediates in complex chemical processes. Furthermore, the use of Diacetamide-d7 as a reference compound in chromatographic techniques has improved the reproducibility and sensitivity of analytical methods.

Recent research has also highlighted the potential of Diacetamide-d7 in drug discovery and development. Its role as an intermediate in the synthesis of bioactive compounds has been explored, with promising results indicating its ability to enhance the pharmacokinetic properties of certain drugs. Additionally, studies have shown that incorporating deuterated compounds like Diacetamide-d7 into medicinal chemistry pipelines can lead to more stable drug candidates with reduced metabolic liabilities.

In conclusion, Diacetamide-d7, CAS number 33945-50-5, stands out as a versatile compound with wide-ranging applications across multiple disciplines. Its unique properties derived from deuterium substitution make it an invaluable tool for researchers seeking to push the boundaries of chemical science. As ongoing studies continue to uncover new uses and optimizations for this compound, its role in advancing scientific knowledge is expected to grow even further.

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