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α-Cyano-β-methyl-β-ethoxyacrylonitrile-[13C2]

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General Information
Catalog: BLP-005897
CAS: 1391052-96-2
Molecular Formula: C5[13C]2H8N2O
Molecular Weight: 138.14

Chemical Structure

Description	α-Cyano-β-methyl-β-ethoxyacrylonitrile-[13C2] is an isotopically labelled analogue of (1-Ethoxyethylidene)malononitrile. (1-Ethoxyethylidene)malononitrile was used in the synthesis of benzyl 5-amino-4-cyano-3-methyl-1H pyrazole-1-carboxylate and 2-amino-6-mercaptopyridine-3,5-dicarbonitrile derivatives.
Synonyms	(1-Ethoxyethylidene)malonitrile-13C2; 1-Ethoxyethylidenemalononitrile-13C2; 2-(1-Ethoxyethylidene)malononitrile-13C2; 2-Cyano-3-ethoxy-3-methylacrylonitrile-13C2; NSC 11585-13C2
IUPAC Name	2-(1-ethoxy(1,2-13C2)ethylidene)propanedinitrile
Related CAS	5417-82-3 (unlabelled)
Canonical SMILES	CCOC(=C(C#N)C#N)C
InChI	InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3/i2+1,6+1
InChI Key	BOSVWXDDFBSSIZ-PYASWXJZSA-N
Purity	98% by CP
Solubility	Slightly soluble in Chloroform, Dichloromethane
Storage	Store at -20°C