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Hexazinone-[d6]

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General Information
Catalog: BLP-011887
CAS: 1219804-22-4
Molecular Formula: C12H14D6N4O2
Molecular Weight: 258.36

Chemical Structure

Synonyms	Hexazinone D6
IUPAC Name	6-[bis(trideuteriomethyl)amino]-3-cyclohexyl-1-methyl-1,3,5-triazine-2,4-dione
Related CAS	51235-04-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N(C1=NC(=O)N(C(=O)N1C)C2CCCCC2)C([2H])([2H])[2H]
Canonical SMILES	CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C
InChI	InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3/i1D3,2D3
InChI Key	CAWXEEYDBZRFPE-WFGJKAKNSA-N
Melting Point	96-98°C
Purity	99% atom D
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	White to Off-white Solid
Storage	Store at -20°C