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Desisopropyl Atrazine-[d5]

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General Information
Catalog: BLP-012943
CAS: 1189961-78-1
Molecular Formula: C5H3D5ClN5
Molecular Weight: 178.64

Chemical Structure

Description	Desisopropyl Atrazine-[d5] is the labelled analogue of Desisopropyl Atrazine, which is a metabolite of Atrazine. Atrazine is used as an herbicide.
Synonyms	6-Chloro-N-ethyl-D5-1,3,5-triazine-2,4-diamine; Atrazine-desisopropyl-D5; 6-Chloro-N2-(ethyl-d5)-1,3,5-triazine-2,4-diamine; 2-Amino-4-chloro-6-(ethylamino-d5)-s-triazine; DIA-d5; Deethylsimazine-d5; Deisopropylatrazine-d5; Desethylsimazine-d5; NSC 13909-d5
IUPAC Name	6-chloro-2-N-(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
Related CAS	1007-28-9 (unlabelled)
Canonical SMILES	CCNC1=NC(=NC(=N1)N)Cl
InChI	InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)/i1D3,2D2
InChI Key	IVENSCMCQBJAKW-ZBJDZAJPSA-N
Melting Point	174-176°C
Purity	≥96% by HPLC; ≥99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere