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CHEBI:30629 - diethylenetriamine

ChEBI IDCHEBI:30629
ChEBI Namediethylenetriamine
Stars
Last Modified19 March 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H13N3
Net Charge0
Average Mass103.169
Monoisotopic Mass103.11095
SMILESNCCNCCN
InChIInChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
InChIKeyRPNUMPOLZDHAAY-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)
diethylenetriamine (CHEBI:30629) is a polyazaalkane (CHEBI:39474)
diethylenetriamine (CHEBI:30629) is a triamine (CHEBI:38751)
Incoming Relation(s)
N-(2-aminoethyl)-1-aziridine-ethanamine (CHEBI:145998) has functional parent diethylenetriamine (CHEBI:30629)
pentamethyldiethylenetriamine (CHEBI:39475) has functional parent diethylenetriamine (CHEBI:30629)
IUPAC Name 
N-(2-aminoethyl)ethane-1,2-diamine
Synonyms  Source
dienIUPAC
diethylenetriamineIUPAC
Registry NumbersSources
Gmelin:2392Gmelin
Beilstein:605314Beilstein
CAS:111-40-0ChemIDplus
CAS:111-40-0NIST Chemistry WebBook