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3,4-Dimethoxyphenylacetonitrile-[a,a-d2]

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General Information
Catalog: BLP-010452
CAS: 1219803-34-5
Molecular Formula: C10H9D2NO2
Molecular Weight: 179.21

Chemical Structure

Description	3,4-Dimethoxyphenylacetonitrile-[a,a-d2] is the labelled analogue of 3,4-Dimethoxyphenylacetonitrile, which is an impurity of Verapamil and an intermediate in the preparation of the muscle relaxant Papverine.
Synonyms	3,4-Dimethoxyphenylacetonitrile-a,a-D2; 2-(3,4-Dimethoxyphenyl)acetonitrile-d2; 3,4-Dimethoxybenzeneacetonitrile-d2; 3,4-Dimethoxybenzyl cyanide-d2; NSC 6324-d2; Veratryl Cyanide-d2; (3,4-Dimethoxyphenyl)acetonitrile-d2; Homoveratronitrile-d2
IUPAC Name	2,2-dideuterio-2-(3,4-dimethoxyphenyl)acetonitrile
Related CAS	93-17-4 (unlabelled)
Canonical SMILES	COC1=C(C=C(C=C1)CC#N)OC
InChI	InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3/i5D2
InChI Key	ASLSUMISAQDOOB-BFWBPSQCSA-N
Boiling Point	171-178°C at 10 mmHg
Melting Point	62-65°C
Purity	97%; 98% atom D
Solubility	Slightly soluble in DMSO, Ethyl Acetate
Appearance	White to Off-white Solid
Storage	Store at 2-8°C