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CAS 1020252-60-1

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α-[(Phenylamino)methylene]-2H-tetrazole-5-acetonitrile

Description:
α-[(Phenylamino)methylene]-2H-tetrazole-5-acetonitrile, identified by its CAS number 1020252-60-1, is a chemical compound characterized by its tetrazole ring structure, which is a five-membered heterocyclic compound containing four nitrogen atoms and one carbon atom. This compound features a phenylamino group, contributing to its potential reactivity and interaction with various biological systems. The presence of the acetonitrile group indicates that it may exhibit polar characteristics, influencing its solubility in organic solvents. The tetrazole moiety is known for its applications in pharmaceuticals and agrochemicals, often exhibiting biological activity. The compound's structure suggests it may participate in hydrogen bonding and other intermolecular interactions, which can affect its stability and reactivity. Overall, α-[(Phenylamino)methylene]-2H-tetrazole-5-acetonitrile is of interest in research for its potential applications in medicinal chemistry and material science, although specific properties such as melting point, boiling point, and spectral data would require empirical investigation for detailed characterization.
Formula:C10H8N6
InChI:InChI=1S/C10H8N6/c11-6-8(10-13-15-16-14-10)7-12-9-4-2-1-3-5-9/h1-5,7,12H,(H,13,14,15,16)
InChI key:InChIKey=SOXCTISAYHQOEE-UHFFFAOYSA-N
SMILES:C(=CNC1=CC=CC=C1)(C#N)C=2NN=NN2
Synonyms:
  • 2H-Tetrazole-5-acetonitrile, α-[(phenylamino)methylene]-
  • α-[(Phenylamino)methylene]-2H-tetrazole-5-acetonitrile
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