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CHEBI:670 - 1-phenylethylamine

ChEBI IDCHEBI:670
ChEBI Name1-phenylethylamine
Stars
DefinitionA phenylethylamine that is ethylamine substituted by a phenyl group at position 1.
Last Modified29 June 2018
DownloadsMolfile
FormulaC8H11N
Net Charge0
Average Mass121.183
Monoisotopic Mass121.08915
SMILESCC(N)c1ccccc1
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
InChIKeyRQEUFEKYXDPUSK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-phenylethylamine (CHEBI:670) has role human metabolite (CHEBI:77746)
1-phenylethylamine (CHEBI:670) is a phenylethylamine (CHEBI:50048)
Incoming Relation(s)
N-(1-phenylethyl)acetamide (CHEBI:141185) has functional parent 1-phenylethylamine (CHEBI:670)
(1R)-1-phenylethanamine (CHEBI:35322) is a 1-phenylethylamine (CHEBI:670)
(1S)-1-phenylethanamine (CHEBI:35321) is a 1-phenylethylamine (CHEBI:670)
IUPAC Name 
1-phenylethanamine
Synonyms  Source
1-PhenylethylamineKEGG COMPOUND
alpha-PhenylethylamineKEGG COMPOUND
alpha-MethylbenzylamineKEGG COMPOUND
1-phenethylamineChemIDplus
α-aminoethylbenzeneNIST Chemistry WebBook
1-amino-1-phenylethaneChemIDplus
Manual XrefsDatabases
C02455KEGG COMPOUND
1-PhenylethylamineWikipedia
HMDB0002017HMDB
Registry NumbersSources
Gmelin:26723Gmelin
Reaxys:636127Reaxys
CAS:618-36-0KEGG COMPOUND
CAS:618-36-0ChemIDplus
Citations