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Ethyl cyanoacetate-[13C3,15N]

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General Information
Catalog: BLP-000543
CAS: 1196157-67-1
Molecular Formula: C2[13C]3H7[15N]O2
Molecular Weight: 117.09

Chemical Structure

Description	Ethyl cyanoacetate-[13C3,15N] is the labelled analogue of Ethyl cyanoacetate. Ethyl cyanoacetate is a colourless liquid with a pleasant odor. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Synonyms	Ethyl cyano-13C, 15N-acetate-1,2-13C2; DTXSID00745924; Ethyl (13C,15N)cyano(13C2)acetate
IUPAC Name	ethyl 2-((15N)azanylidyne(2-13C)methyl)acetate
Related CAS	105-56-6 (unlabelled)
Isomeric SMILES	CCO[13C](=O)[13CH2][13C]#[15N]
Canonical SMILES	CCOC(=O)CC#N
InChI	InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3/i3+1,4+1,5+1,6+1
InChI Key	ZIUSEGSNTOUIPT-PQVJJBODSA-N
Boiling Point	207-210 °C
Purity	98% (CP); 98% atom 15N; 99% atom 13C
Density	1.100 g/mL at 25 °C