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1,1-Dicyano-2-methoxy-4-dimethylamino-1,3-butadiene-[13C3]

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General Information
Catalog: BLP-006358
CAS: 1391062-38-6
Molecular Formula: C6[13C]3H11N3O
Molecular Weight: 180.18

Chemical Structure

Description	1,1-Dicyano-2-methoxy-4-dimethylamino-1,3-butadiene-[13C3] is the labelled analogue of 1,1-Dicyano-2-methoxy-4-dimethylamino-1,3-butadiene, which is an intermediate in the synthesis of antitumor agent Gimeracil.
Synonyms	1,1-Dicyano-2-methoxy-4-dimethylamino-1,3-butadiene-13C3; 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile-13C3; 2-[3-(dimethylamino)-1-methoxy-2-propenylidene]malononitrile-13C3; (E)-2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile-13C3; [(2E)-3-(Dimethylamino)-1-methoxyprop-2-en-1-ylidene]malononitrile-13C3; 2-[(2E)-3-(dimethylamino)-1-methoxyprop-2-en-1-ylidene]propanedinitrile-13C3
IUPAC Name	2-[(E)-3-(dimethylamino)-1-methoxy(1,2,3-13C3)prop-2-enylidene]propanedinitrile
Related CAS	95689-38-6 (unlabelled)
Canonical SMILES	CN(C)C=CC(=C(C#N)C#N)OC
InChI	InChI=1S/C9H11N3O/c1-12(2)5-4-9(13-3)8(6-10)7-11/h4-5H,1-3H3/b5-4+/i4+1,5+1,9+1
InChI Key	YEUYKZLMAGACBX-HYKTYXKDSA-N
Purity	98%
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	Orange Solid
Storage	Store at 2-8°C