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N-(2-Aminoethyl)-4-(1,1-dimethylethyl)-2,6-dimethylbenzeneacetamide-[d4]

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General Information
Catalog: BLP-006295
CAS: 1346602-56-9
Molecular Formula: C16H22D4N2O
Molecular Weight: 266.42

Chemical Structure

Description	N-(2-Aminoethyl)-4-(1,1-dimethylethyl)-2,6-dimethylbenzeneacetamide-[d4] is the labelled analogue of N-(2-Aminoethyl)-4-(1,1-dimethylethyl)-2,6-dimethylbenzeneacetamide, which is a possible metabolite of Xylometazoline.
Synonyms	N-(2-Aminoethyl)-4-(1,1-dimethylethyl)-2,6-dimethylbenzeneacetamide-d4; N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide-d4; N-(2-aminoethyl)-2-(4-tert-butyl-2,6-dimethylphenyl)acetamide-d4; Xylometazoline EP Impurity A-d4
IUPAC Name	N-(2-amino-1,1,2,2-tetradeuterioethyl)-2-(4-tert-butyl-2,6-dimethylphenyl)acetamide
Related CAS	94266-17-8 (unlabelled)
Canonical SMILES	CC1=CC(=CC(=C1CC(=O)NCCN)C)C(C)(C)C
InChI	InChI=1S/C16H26N2O/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15(19)18-7-6-17/h8-9H,6-7,10,17H2,1-5H3,(H,18,19)/i6D2,7D2
InChI Key	ZETWQXPEVKRTDM-KXGHAPEVSA-N
Purity	≥98%
Solubility	Slightly soluble in Methanol
Appearance	Pale Yellow Solid
Storage	Store at 2-8°C under inert atmosphere