CHEBI:44814 - 4-phenylbutylamine

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ChEBI Name 4-phenylbutylamine
ChEBI ID CHEBI:44814
Definition A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H15N
Net Charge 0
Average Mass 149.237
Monoisotopic Mass 149.12045
InChI InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChIKey AGNFWIZBEATIAK-UHFFFAOYSA-N
SMILES C=1(C=CC=CC1)CCCCN
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 Sources
1-amino-4-phenylbutane NIST Chemistry WebBook
4-amino-1-phenylbutane NIST Chemistry WebBook
benzenebutanamine NIST Chemistry WebBook
Manual Xrefs Databases
DB04311 DrugBank
PBN PDBeChem
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Registry Numbers Types Sources
13214-66-9 CAS Registry Number NIST Chemistry WebBook
13214-66-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10425374 PubMed citation Europe PMC
11106506 PubMed citation Europe PMC
29716210 PubMed citation Europe PMC
7051703 PubMed citation Europe PMC
Last Modified
27 May 2020