3-phenylpropylamine (CHEBI:45017)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	3-phenylpropylamine

ChEBI ID	CHEBI:45017

Definition	A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 3-aminopropyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C9H13N

Net Charge

Average Mass

135.210

Monoisotopic Mass

135.10480

InChI

InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2

InChIKey

LYUQWQRTDLVQGA-UHFFFAOYSA-N

SMILES

C=1(C=CC=CC1)CCCN

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	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	3-phenylpropylaminium (CHEBI:150861) is conjugate acid of 3-phenylpropylamine (CHEBI:45017)

IUPAC Name

3-phenylpropan-1-amine

Last Modified

27 May 2020