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CHEBI:48008 - N-(3-aminopropyl)but-2-ene-1,4-diamine

ChEBI IDCHEBI:48008
ChEBI NameN-(3-aminopropyl)but-2-ene-1,4-diamine
Stars
ASCII NameN-(3-aminopropyl)but-2-ene-1,4-diamine
DefinitionA triamine comprising spermidine having a double bond at the 2-position.
Last Modified21 March 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H17N3
Net Charge0
Average Mass143.234
Monoisotopic Mass143.14225
SMILES[H]C(CN)=C([H])CNCCCN
InChIInChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h1-2,10H,3-9H2
InChIKeyWLSWOWSGPRTMKO-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)
N-(3-aminopropyl)but-2-ene-1,4-diamine (CHEBI:48008) has functional parent spermidine (CHEBI:16610)
N-(3-aminopropyl)but-2-ene-1,4-diamine (CHEBI:48008) is a triamine (CHEBI:38751)
Incoming Relation(s)
cis-N-(3-aminopropyl)but-2-ene-1,4-diamine (CHEBI:48012) is a N-(3-aminopropyl)but-2-ene-1,4-diamine (CHEBI:48008)
trans-N-(3-aminopropyl)but-2-ene-1,4-diamine (CHEBI:48013) is a N-(3-aminopropyl)but-2-ene-1,4-diamine (CHEBI:48008)
IUPAC Name 
N-(3-aminopropyl)but-2-ene-1,4-diamine
Synonym  Source
N-(3-aminopropyl)-2-butene-1,4-diamineChemIDplus
Registry NumbersSources
CAS:67953-03-1ChemIDplus