Cyanoacetylurea

CAS: 1448-98-2

Ref. 3D-FC38836

Product Information

• Name: Cyanoacetylurea
• Synonyms: (2-Cyanoacetyl)urea, (2-Cyanoethanoyl)urea, (Cyanoacetyl)urea, Acetamide, N-(aminocarbonyl)-2-cyano-, Ai3-28760, N-(Aminocarbonyl)-2-cyanoacetamide, N-Carbamoyl-2-cyanoacetamide, NSC 6287, Urea, (cyanoacetyl)-
• CAS: 1448-98-2

Description

Cyanoacetylurea is a compound that can be synthesized by reacting an alkanolamine with a metal hydroxide. It is used as a control agent in the manufacture of pharmaceuticals, such as theophylline or hydrogen chloride. There are two possible structures for this chemical: one contains amines and the other does not. The amine-containing structure has intermolecular hydrogen bonding between NH groups and carbonyl groups on adjacent molecules, as well as hydrogen bonding to OH groups on other molecules. The second structure does not have these interactions and instead contains an ether linkage between two carbon atoms in a heterocycle. This second structure also has an additional bond to a hydroxide ion, which may be due to the presence of trifluoromethanesulfonic acid during synthesis.

• Brand: Biosynth

Chemical properties

• Molecular weight: 127.1 g/mol
• Formula: C₄H₅N₃O₂
• Purity: Min. 95%
• InChI: InChI=1S/H3N/h1H3
• InChI key: InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
• SMILES: N#CCC(=O)NC(N)=O