Methyl-d3-amine hydrochloride
[CAS# 7436-22-8]

Identification

• Classification: Chemical reagent >> Organic reagent >> Amine salt (ammonium salt)
• Name: Methyl-d3-amine hydrochloride
• Synonyms: Trideuteriomethanamine;hydrochloride
• Molecular Formula: CD₃H₃ClN
• Molecular Weight: 70.54
• CAS Registry Number: 7436-22-8
• EC Number: 231-089-6
• SMILES: [2H]C([2H])([2H])N.Cl

Properties

• Melting point: 232 - 234 ºC (Expl.)

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P264-P264+P265-P271-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Eye irritation	Eye Irrit.	2	H319

Discovory and Applicatios

Methyl-d3-amine hydrochloride is a deuterated form of methylamine hydrochloride, where the hydrogen atoms in the methyl group (–CH3) are replaced by deuterium (–CD3). This substitution of deuterium for hydrogen is important for various scientific applications, particularly in research fields involving isotopic labeling, nuclear magnetic resonance (NMR) spectroscopy, and other analytical techniques.

Methylamine hydrochloride itself is a simple amine salt, formed by the reaction of methylamine (CH3NH2) with hydrochloric acid (HCl). It is commonly used in chemical synthesis as a methylating agent and in the preparation of other amines or compounds containing a methyl group. Methyl-d3-amine hydrochloride is chemically similar to methylamine hydrochloride, but with the substitution of deuterium atoms in place of the hydrogen atoms. This makes the compound particularly valuable in studies that require tracking the movement of specific atoms in chemical reactions or in biological systems.

One of the primary applications of methyl-d3-amine hydrochloride is in isotopic labeling, where deuterium atoms are used to replace hydrogen atoms in a molecule. This process allows researchers to study reaction mechanisms, metabolic pathways, or the interaction of molecules in a more detailed manner through the use of NMR or mass spectrometry. Deuterium-labeled compounds, such as methyl-d3-amine hydrochloride, are often used to trace the flow of molecules in complex biological systems, enabling a more precise understanding of metabolic processes or drug pharmacokinetics.

In NMR spectroscopy, the substitution of deuterium for hydrogen in methyl-d3-amine hydrochloride is particularly useful. Deuterium has a different magnetic resonance frequency compared to hydrogen, allowing for the distinct identification and tracking of deuterated molecules in complex mixtures. This can be helpful in studying the structure and dynamics of molecules, as well as in identifying the positions of certain atoms within a compound during chemical reactions. The ability to distinguish between hydrogen and deuterium in NMR spectra is an important tool in organic chemistry and biochemistry.

In addition to its role in research, methyl-d3-amine hydrochloride may also find use in the development of pharmaceutical compounds. The substitution of deuterium for hydrogen in certain drugs can alter their metabolic pathways, potentially improving their pharmacokinetics or modifying their interactions with biological targets. This concept, known as "deuteration" or "deuterium substitution," has been explored in drug development to enhance the efficacy or reduce the side effects of certain medications.

While methyl-d3-amine hydrochloride does not have widespread direct applications in industry, its use in scientific research as a labeled compound is significant. It is an important tool for researchers investigating chemical and biological systems, particularly in studies involving molecular dynamics, drug development, and isotope labeling. By offering a way to track specific atoms within a molecule, methyl-d3-amine hydrochloride enables more precise studies of chemical behavior, reaction mechanisms, and biological processes.

In summary, methyl-d3-amine hydrochloride is a deuterated form of methylamine hydrochloride used primarily in scientific research and analytical chemistry. Its main applications include isotopic labeling, nuclear magnetic resonance (NMR) studies, and metabolic tracking in biological systems. By replacing hydrogen atoms with deuterium, this compound provides a valuable tool for exploring chemical reactions, molecular interactions, and drug development.

References

2014. Biological evaluation of novel derivatives of the orange pigments from Monascus sp. as inhibitors of melanogenesis. Biotechnology Letters, 36(8).
DOI: 10.1007/s10529-014-1518-1

2023. Synthesis and clinical application of new drugs approved by FDA in 2022. Molecular Biomedicine, 4(1).
DOI: 10.1186/s43556-023-00138-y