CAS 352431-06-2

Ethan-1,1,2,2-d4-amine,2-chloro-N-(2-chloroethyl)-, hydrochloride (9CI)

Description:

Ethan-1,1,2,2-d4-amine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (9CI) is a chemical compound characterized by its specific isotopic labeling and functional groups. The "d4" in its name indicates that it contains deuterium, a stable isotope of hydrogen, which is incorporated into the ethanamine structure, enhancing its utility in various analytical applications, particularly in NMR spectroscopy. The presence of two chloro groups suggests that the compound has potential reactivity, particularly in nucleophilic substitution reactions. As a hydrochloride salt, it is typically more stable and soluble in water compared to its free base form, which is advantageous for handling and storage. This compound may be of interest in pharmaceutical research or chemical synthesis due to its unique structural features. However, specific safety and handling guidelines should be followed, as compounds with halogen substituents can exhibit varying degrees of toxicity and environmental impact. Always consult relevant safety data sheets and regulatory guidelines when working with such substances.

Formula: C₄H₅Cl₂D₄NClH

InChI: InChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H/i1D2,3D2;

InChI key: YMDZDFSUDFLGMX-HAFGEVJTSA-N

SMILES: [2H]C([2H])(C([2H])([2H])Cl)NCCCl.Cl

Synonyms:

• Bis(2-Chloroethyl)-1,1,2,2-D4-Amine Hcl
• Bis(2-Chloroethyl)-1,1,2,2-D4-Amine Hydrochloride
• Bis(2-chloroethoxy)-1,1,2,2-D4-amine HCl

Bis(2-chloroethyl)amine-1,1,2,2-D4 (hydrochloride)

CAS: 352431-06-2

Bis(2-chloroethyl)amine-1,1,2,2-D4 (hydrochloride)

Formula: C₄H₆D₄Cl₃N

Purity: 98%

Molecular weight: 182.51

Ref: 54-DE2086

Bis(2-chloroethyl)-1,1,2,2-d4-amine HCl

CAS: 352431-06-2, 821-48-7

Formula: ClCD₂CD₂NHCH₂CH₂ClHCl

Purity: 98 atom % D

Color and Shape: White Solid

Molecular weight: 181.01299

Ref: 3U-D5306

Bis(2-chloroethyl)-1,1,2,2-d4-amine Hydrochloride

Controlled Product

CAS: 352431-06-2

Applications Isotope labelled Bis(2-chloroethyl)amine is a cytotoxic metabolite of Cyclophosphamide; a deuterated analog of Nor-nitrogen mustard.
References Colvin, M., et al.: Cancer Res., 36, 1121 (1976), Ludeman, S., et al.: Drug Metab Dispos., 20, 337 (1992), Ludeman, S.M., et al.: J. Pharmaceut. Sci., 84, 393 (1995), Yu, L., et al.: Drug Metab. Dispos., 24, 1254 (1996),

Formula: C₄D₄H₅Cl₂N·HCl

Color and Shape: Neat

Molecular weight: 182.51

Ref: TR-B418803