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3-Hydroxypropionitrile-[d4]

General Information
Catalog: BLP-010934
CAS: 122775-18-2
Molecular Formula: C3HD4NO
Molecular Weight: 75.10
Chemical Structure
3-Hydroxypropionitrile-[d4]
Description 3-Hydroxypropionitrile-[d4] is the labelled analogue of 3-Hydroxypropionitrile.
Synonyms 3-Hydroxypropionitrile-2,2,3,3-d4
IUPAC Name 2,2,3,3-tetradeuterio-3-hydroxypropanenitrile
Related CAS 109-78-4 (unlabelled)
Canonical SMILES C(CO)C#N
InChI InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2/i1D2,3D2
InChI Key WSGYTJNNHPZFKR-VEPVEJTGSA-N
Boiling Point 228°C (lit.)
Melting Point -46°C
Purity 98% atom D
Density 1.041 g/cm3 at 25°C
Storage Store at RT

3-Hydroxypropionitrile-[d4], a deuterated chemical compound, finds predominant use in research applications to unravel various biochemical and chemical processes. Here are key applications of 3-Hydroxypropionitrile-[d4] presented with a high degree of perplexity and burstiness:

Stable Isotope Labeling: Integral to mass spectrometry, stable isotope labeling involving 3-Hydroxypropionitrile-[d4] stands as a critical technique for probing metabolic pathways. By incorporating this compound into experimental setups, researchers can meticulously trace the assimilation and alteration of molecules within biological systems. This intricate process facilitates a deeper insight into metabolic processes and the intricate regulation of biochemical pathways.

Pharmacokinetics Studies: In the realm of pharmacokinetics, 3-Hydroxypropionitrile-[d4] assumes the role of a tracer, aiding in the evaluation of drug absorption, distribution, metabolism, and excretion within the body. The deuterium labeling acts as a distinctive marker, enabling precise quantification of drug movement and concentration over temporal scales. This critical data is indispensable for fine-tuning drug formulations and augmenting therapeutic efficacy.

NMR Spectroscopy: In the domain of nuclear magnetic resonance (NMR) spectroscopy, this compound plays a pivotal role in elucidating molecular structures and dynamics. The substitution of hydrogen with deuterium not only diminishes background noise but also furnishes clearer and more precise spectral data. Researchers leverage these insights to dissect complex structures, analyze interactions, and forecast chemical behaviors with heightened accuracy.

Chemical Synthesis Research: Researchers harness the unique isotopic composition of 3-Hydroxypropionitrile-[d4] in pioneering new synthetic routes for chemical synthesis. This compound proves instrumental in monitoring reaction mechanisms and pathways by meticulously tracking isotopic shifts. Such detailed observations pave the way for identifying novel catalysts, optimizing reaction conditions, and boosting yields in diverse industrial chemistry applications.

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