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

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General Information
Catalog: BLP-010716
CAS: 58880-33-4
Molecular Formula: C4H6D4Cl3N
Molecular Weight: 182.51

Chemical Structure

Description	Bis(2-chloroethyl)amine-[d4] Hydrochloride is the labelled analogue of Bis(2-chloroethyl)amine Hydrochloride, which is a cytotoxic metabolite of Cyclophosphamide.
Synonyms	Bis(2-chloroethyl)amine-d4 Hydrochloride; 2-Chloro-N-(2-chloroethyl-2,2-d2)ethan-2,2-d2-amine Hydrochloride; Cyclophosphamide Impurity A-d4; 2-Chloro-N-(2-chloroethyl)ethanamine-d4 Hydrochloride
IUPAC Name	2-chloro-N-(2-chloro-2,2-dideuterioethyl)-2,2-dideuterioethanamine;hydrochloride
Related CAS	821-48-7 (unlabelled) 334-22-5 (unlabelled free base) 65617-98-3 (free base)
Isomeric SMILES	[2H]C([2H])(CNCC([2H])([2H])Cl)Cl.Cl
Canonical SMILES	C(CCl)NCCCl.Cl
InChI	InChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H/i1D2,2D2;
InChI Key	YMDZDFSUDFLGMX-PBCJVBLFSA-N
Melting Point	199-202°C
Purity	98%; 98% atom D
Solubility	Soluble in Methanol, Water
Appearance	Off-white to Light Grey Solid
Storage	Store at -20°C under inert atmosphere