CHEBI:85107 - ethyl isocyanate

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ChEBI Name ethyl isocyanate ChEBI ID CHEBI:85107 Definition An isocyanate having an ethyl group attached to the nitrogen. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C3H5NO Net Charge 0 Average Mass 71.07790 Monoisotopic Mass 71.03711 InChI InChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3 InChIKey WUDNUHPRLBTKOJ-UHFFFAOYSA-N SMILES CCN=C=O ChEBI Ontology Outgoing ethyl isocyanate (CHEBI:85107) is a isocyanates (CHEBI:53212) IUPAC Name isocyanatoethane Synonyms Sources EIC ChEBI Isocyanic acid, ethyl ester ChemIDplus Registry Numbers Types Sources 109-90-0 CAS Registry Number ChemIDplus 109-90-0 CAS Registry Number NIST Chemistry WebBook 773743 Reaxys Registry Number Reaxys Citations Types Sources 25532938 PubMed citation Europe PMC 28295200 PubMed citation Europe PMC Last Modified 13 September 2017