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Ammeline-[13C3] Hydrochloride

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General Information
Catalog: BLP-010676
CAS: 1794936-94-9
Molecular Formula: [13C]3H6ClN5O
Molecular Weight: 166.54

Chemical Structure

Description	Isotope labelled Ammeline, a metabolite of Melamine, which acts as a non-protein nitrogen food additive. Also present in pet foods as well. Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA). Environmental contaminants; Food contaminants.
Synonyms	Ammeline-13C3 Hydrochloride; 4,6-Diamino-1,3,5-triazin-2(1H)-one-13C3 Hydrochloride; 2,4-Diamino-6-hydroxy-1,3,5-triazine-13C3 Hydrochloride; 2,4-Diamino-6-hydroxy-s-triazine-13C3 Hydrochloride; 2-Hydroxy-4,6-diamino-s-triazine-13C3 Hydrochloride; Deethyldeisopropylhydroxyyatrazine-13C3 Hydrochloride; NSC 9778-13C3 Hydrochloride; Diaminohydroxytriazine-13C3 Hydrochloride
IUPAC Name	4,6-diamino-(2,4,6-13C3)1H-1,3,5-triazin-2-one;hydrochloride
Related CAS	645-92-1 (unlabelled free base)
Canonical SMILES	C1(=NC(=NC(=O)N1)N)N.Cl
InChI	InChI=1S/C3H5N5O.ClH/c4-1-6-2(5)8-3(9)7-1;/h(H5,4,5,6,7,8,9);1H/i1+1,2+1,3+1;
InChI Key	MEUOOKNKMSVRLN-HCULJTSZSA-N
Melting Point	>300°C
Purity	95% by HPLC; ≥99% atom 13C
Solubility	Slightly soluble in DMSO (Heated)
Appearance	White to Pale Purple Solid
Storage	Store at -20°C under inert atmosphere