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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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