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CHEBI:45017 - 3-phenylpropylamine

ChEBI IDCHEBI:45017
ChEBI Name3-phenylpropylamine
Stars
DefinitionA phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 3-aminopropyl group.
Last Modified27 May 2020
DownloadsMolfile
FormulaC9H13N
Net Charge0
Average Mass135.210
Monoisotopic Mass135.10480
SMILESNCCCc1ccccc1
InChIInChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
InChIKeyLYUQWQRTDLVQGA-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)
3-phenylpropylamine (CHEBI:45017) is a benzenes (CHEBI:22712)
3-phenylpropylamine (CHEBI:45017) is a phenylalkylamine (CHEBI:60977)
3-phenylpropylamine (CHEBI:45017) is a primary amino compound (CHEBI:50994)
3-phenylpropylamine (CHEBI:45017) is conjugate base of 3-phenylpropylaminium (CHEBI:150861)
Incoming Relation(s)
3-phenylpropylaminium (CHEBI:150861) is conjugate acid of 3-phenylpropylamine (CHEBI:45017)
IUPAC Name 
3-phenylpropan-1-amine
Synonyms  Source
1-amino-3-phenylpropaneChemIDplus
3-phenyl-n-propylamineChemIDplus
3-phenyl-1-propanamineChemIDplus
γ-phenyl-n-propylamineChemIDplus
γ-phenylpropylamineChemIDplus
hydrocinnamylamineChemIDplus
Manual XrefsDatabases
PRAPDBeChem
DB04410DrugBank
Registry NumbersSources
Reaxys:2205526Reaxys
CAS:2038-57-5ChemIDplus
CAS:2038-57-5NIST Chemistry WebBook
Citations