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

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General Information
Catalog: BLP-010715
CAS: 352431-06-2
Molecular Formula: C4H6D4Cl3N
Molecular Weight: 182.51

Chemical Structure

Description	Bis(2-chloroethyl)amine-[1,1,2,2-d4] Hydrochloride is the labelled analogue of Bis(2-chloroethyl)amine Hydrochloride, which is a cytotoxic metabolite of Cyclophosphamide.
Synonyms	Bis(2-chloroethyl)-1,1,2,2-d4-amine Hydrochloride; 2-Chloro-N-(2-chloroethyl)ethan-1,1,2,2-d4-amine Hydrochloride; Cyclophosphamide Impurity A-d4; 2-Chloro-N-(2-chloroethyl)ethanamine-d4 Hydrochloride
IUPAC Name	2-chloro-N-(2-chloroethyl)-1,1,2,2-tetradeuterioethanamine;hydrochloride
Related CAS	821-48-7 (unlabelled) 334-22-5 (unlabelled free base)
Canonical SMILES	C(CCl)NCCCl.Cl
InChI	InChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H/i1D2,3D2;
InChI Key	YMDZDFSUDFLGMX-HAFGEVJTSA-N
Melting Point	>198°C (dec.)
Purity	98%; 98% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at 2-8°C