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6PPD-quinone-[d5]

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General Information
Catalog: BLP-014854
Molecular Formula: C18H17D5N2O2
Molecular Weight: 303.42

Chemical Structure

Description	6PPD-quinone-[d5] is the labelled form of 6PPD-quinone, which is useful in hair dye compositions and is identified as the primary causal toxicant.
Synonyms	2-((4-Methylpentan-2-yl)amino)-5-((phenyl-d5)amino)cyclohexane-1,4-dione; 6PPD-quinone-d5; d5-6PPD-quinone
IUPAC Name	2-(4-methylpentan-2-ylamino)-5-(2,3,4,5,6-pentadeuterioanilino)cyclohexa-2,5-diene-1,4-dione
Related CAS	2754428-18-5 (unlabelled)
Canonical SMILES	CC(C)CC(C)NC1=CC(=O)C(=CC1=O)NC2=CC=CC=C2
InChI	InChI=1S/C18H22N2O2/c1-12(2)9-13(3)19-15-10-18(22)16(11-17(15)21)20-14-7-5-4-6-8-14/h4-8,10-13,19-20H,9H2,1-3H3/i4D,5D,6D,7D,8D
InChI Key	UBMGKRIXKUIXFQ-UPKDRLQUSA-N
Purity	94.43%; 98.2% atom D
Solubility	Chloroform (Slightly) ,Methanol (Slightly, Heated)
Appearance	Dark Orange to Dark Red Solid
Storage	-20°C ,Inert atmosphere