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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:71189 - iminodiacetonitrile
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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
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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 (Br
o
nsted 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