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CHEBI:44814 - 4-phenylbutylamine

ChEBI IDCHEBI:44814
ChEBI Name4-phenylbutylamine
Stars
DefinitionA phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group.
Last Modified27 May 2020
DownloadsMolfile
FormulaC10H15N
Net Charge0
Average Mass149.237
Monoisotopic Mass149.12045
SMILESNCCCCc1ccccc1
InChIInChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChIKeyAGNFWIZBEATIAK-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)
4-phenylbutylamine (CHEBI:44814) is a benzenes (CHEBI:22712)
4-phenylbutylamine (CHEBI:44814) is a phenylalkylamine (CHEBI:60977)
4-phenylbutylamine (CHEBI:44814) is a primary amino compound (CHEBI:50994)
IUPAC Name 
4-phenylbutan-1-amine
Synonyms  Source
benzenebutanamineNIST Chemistry WebBook
4-amino-1-phenylbutaneNIST Chemistry WebBook
1-amino-4-phenylbutaneNIST Chemistry WebBook
Manual XrefsDatabases
PBNPDBeChem
DB04311DrugBank
Registry NumbersSources
CAS:13214-66-9ChemIDplus
CAS:13214-66-9NIST Chemistry WebBook
Citations