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trans 4-Dimethylaminocrotonic Acid-[d6] Hydrochloride

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trans 4-Dimethylaminocrotonic Acid-[d6] Hydrochloride

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General Information
Catalog: BLP-006189
CAS: 1259519-59-9
Molecular Formula: C6H5D6NO2.HCl
Molecular Weight: 171.65

Chemical Structure

Description	trans 4-Dimethylaminocrotonic Acid-[d6] Hydrochloride is the labelled analogue of trans 4-Dimethylaminocrotonic Acid Hydrochloride, which is an intermediate of Pelitinib.
Synonyms	trans 4-Dimethylaminocrotonic Acid-d6 Hydrochloride; (E)-4-(Dimethylamino)but-2-enoic Acid-d6 Hydrochloride; (E)-4-(Dimethylamino)-2-butenoic Acid-d6 Hydrochloride
IUPAC Name	(E)-4-[bis(trideuteriomethyl)amino]but-2-enoic acid;hydrochloride
Related CAS	848133-35-7 (unlabelled) 1259680-83-5 (free base)
Canonical SMILES	CN(C)CC=CC(=O)O.Cl
InChI	InChI=1S/C6H11NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-4H,5H2,1-2H3,(H,8,9);1H/b4-3+;/i1D3,2D3;
InChI Key	UUHNQHFOIVLAQX-QHNUCIEHSA-N
Melting Point	>141°C (dec.)
Purity	97%; ≥99% atom D
Solubility	Slightly soluble in DMSO, Water
Appearance	White Solid
Storage	Store at 2-8°C