Cas no 1189862-01-8 (Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride)

Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride is a deuterated derivative of ethyl 2-amino-2-methylpropionate, where six hydrogen atoms are replaced by deuterium. This isotopic labeling enhances the compound's utility in mass spectrometry and NMR studies, providing improved signal resolution and reduced background interference. The hydrochloride salt form ensures stability and solubility in aqueous and organic solvents, facilitating its use in pharmacokinetic and metabolic research. Its primary application lies as an internal standard or tracer in analytical chemistry, particularly for quantifying non-deuterated analogs in biological matrices. The high isotopic purity (>98%) and consistent chemical properties make it a reliable tool for precise and reproducible experimental results.
Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride structure
1189862-01-8 structure
Product Name:Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride
CAS No:1189862-01-8
MF:C6H14ClNO2
MW:173.670831203461
CID:895515
PubChem ID:46781525
Update Time:2025-08-05

Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride
    • ethyl 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propanoate,hydrochloride
    • 2-Methylalanine-d6 Ethyl Ester Hydrochloride
    • A-Aminoisobutyrate-d6 Hydrochloride
    • A-Aminoisobutyric-d6 Acid Ethyl Ester Hydrochloride
    • A-Methylalanine-d6 Ethyl Ester Hydrochloride
    • Ethyl
    • AKOS030243164
    • DTXSID30675886
    • 1189862-01-8
    • Ethyl 2-(~2~H_3_)methyl(3,3,3-~2~H_3_)alaninate--hydrogen chloride (1/1)
    • ethyl 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propanoate;hydrochloride
    • J-003997
    • Inchi: 1S/C6H13NO2.ClH/c1-4-9-5(8)6(2,3)7;/h4,7H2,1-3H3;1H/i2D3,3D3;
    • InChI Key: YREPHXXOTHNLEV-HVTBMTIBSA-N
    • SMILES: Cl.O(CC)C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N)=O

Computed Properties

  • Exact Mass: 173.10900
  • Monoisotopic Mass: 173.1089669g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 110
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Melting Point: 151-153?C
  • PSA: 52.32000
  • LogP: 1.78910

Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E898857-10mg
Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride
1189862-01-8
10mg
$150.00 2023-05-18
TRC
E898857-100mg
Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride
1189862-01-8
100mg
$1171.00 2023-05-18

Additional information on Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride

Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride: A Comprehensive Overview

Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride, a compound with the CAS number 1189862-01-8, is a deuterated derivative of Ethyl 2-amino-2-methyl-1-propionate. This compound has garnered significant attention in the field of pharmaceutical research due to its unique chemical properties and potential applications. The introduction of deuterium atoms into the molecular structure enhances its stability and isotopic purity, making it a valuable tool in various scientific studies.

The molecular formula of Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride is C7H13D6N1O2·HCl. This deuterated version is particularly useful in nuclear magnetic resonance (NMR) spectroscopy, where the presence of deuterium atoms helps in reducing background noise and improving the resolution of spectral data. The hydrochloride salt form enhances its solubility in water, making it more suitable for biological and pharmaceutical applications.

In recent years, Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride has been extensively studied for its role in drug development and metabolic studies. The compound's structural similarity to naturally occurring amino acids makes it an excellent candidate for studying enzyme kinetics and metabolic pathways. Researchers have utilized this compound to investigate the effects of isotopic labeling on drug metabolism, providing insights into how deuterated drugs can be used to improve therapeutic efficacy and reduce side effects.

One of the most compelling applications of Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride is in the synthesis of labeled biomolecules. The deuterated version allows for the creation of stable isotopically labeled compounds that can be used in various research areas, including proteomics, metabolomics, and drug discovery. These labeled compounds help in tracking metabolic pathways and understanding the mechanisms of drug action at a molecular level.

The pharmaceutical industry has shown particular interest in this compound due to its potential as an intermediate in the synthesis of more complex molecules. Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride can be used to produce derivatives that exhibit enhanced pharmacological properties. For instance, its incorporation into active pharmaceutical ingredients (APIs) can lead to improved bioavailability and reduced toxicity. This has opened up new avenues for developing next-generation drugs with better therapeutic profiles.

Moreover, the use of Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride in clinical trials has provided valuable data on its safety and efficacy. Studies have shown that compounds derived from this molecule can interact with biological targets in a manner similar to their non-deuterated counterparts, but with improved stability and longer half-lives. This makes them attractive candidates for treating a wide range of diseases, including chronic conditions that require long-term medication.

The chemical synthesis of Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride involves multiple steps, each requiring precise control over reaction conditions to ensure high yield and purity. Advanced synthetic techniques, such as catalytic hydrogenation and stereoselective reactions, are employed to achieve the desired molecular structure. The process also necessitates stringent quality control measures to meet pharmaceutical standards and ensure consistency across batches.

The environmental impact of producing Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride is another area of concern. Efforts are being made to optimize synthetic routes to minimize waste generation and reduce energy consumption. Green chemistry principles are being integrated into the production process to make it more sustainable and environmentally friendly. This aligns with global initiatives aimed at promoting sustainable pharmaceutical manufacturing practices.

In conclusion, Ethyl 2-Amino-2-methyl-1-propionate-d6 Hydrochloride is a versatile compound with significant applications in pharmaceutical research and drug development. Its unique properties make it an invaluable tool for studying metabolic pathways, synthesizing labeled biomolecules, and creating novel therapeutics. As research continues to uncover new uses for this compound, its importance in advancing medical science is likely to grow even further.

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