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CHEBI:71189 - iminodiacetonitrile

ChEBI IDCHEBI:71189
ChEBI Nameiminodiacetonitrile
Stars
DefinitionA secondary amino compound that is ammonia in which two of the hydrogens are substituted by cyanomethyl groups.
Last Modified1 May 2015
SubmitterVaxelaire
DownloadsMolfile
FormulaC4H5N3
Net Charge0
Average Mass95.105
Monoisotopic Mass95.04835
SMILESN#CCNCC#N
InChIInChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2
InChIKeyBSRDNMMLQYNQQD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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  Source
2-[(cyanomethyl)amino]acetonitrileSUBMITTER
1,1'-ImidodiacetonitrileChemIDplus
2,2'-IminobisacetonitrileChemIDplus
bis(cyanomethyl)amineChEBI
UniProt Name  Source
iminodiacetonitrileUniProt
Manual XrefsDatabases
EP1012135Patent
CN101627005Patent
CN101591267Patent
Registry NumbersSources
Reaxys:773803Reaxys
CAS:628-87-5ChemIDplus
CAS:628-87-5NIST Chemistry WebBook
Citations