CHEBI:71189 - iminodiacetonitrile

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name iminodiacetonitrile ChEBI ID CHEBI:71189 Definition A secondary amino compound that is ammonia in which two of the hydrogens are substituted by cyanomethyl groups. Stars This entity has been manually annotated by the ChEBI Team. Submitter Carine Vaxelaire 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 C4H5N3 Net Charge 0 Average Mass 95.10260 Monoisotopic Mass 95.04835 InChI InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2 InChIKey BSRDNMMLQYNQQD-UHFFFAOYSA-N SMILES N#CCNCC#N Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing iminodiacetonitrile (CHEBI:71189) has functional parent acetonitrile (CHEBI:38472) iminodiacetonitrile (CHEBI:71189) is a aliphatic nitrile (CHEBI:80291) iminodiacetonitrile (CHEBI:71189) is a dinitrile (CHEBI:51308) iminodiacetonitrile (CHEBI:71189) is a secondary amino compound (CHEBI:50995) IUPAC Name 2,2'-iminodiacetonitrile Synonyms Sources 1,1'-Imidodiacetonitrile ChemIDplus 2,2'-Iminobisacetonitrile ChemIDplus 2-[(cyanomethyl)amino]acetonitrile SUBMITTER bis(cyanomethyl)amine ChEBI iminodiacetonitrile UniProt Manual Xrefs Databases CN101591267 Patent CN101627005 Patent EP1012135 Patent View more database links Registry Numbers Types Sources 628-87-5 CAS Registry Number NIST Chemistry WebBook 628-87-5 CAS Registry Number ChemIDplus 773803 Reaxys Registry Number Reaxys Citations Types Sources 21567989 PubMed citation Europe PMC 22441427 PubMed citation Europe PMC Last Modified 01 May 2015