CHEBI:35321 - (1S)-1-phenylethanamine

ChEBI IDCHEBI:35321
ChEBI Name(1S)-1-phenylethanamine
Stars
ASCII Name(1S)-1-phenylethanamine
DefinitionThe (S)-enantiomer of 1-phenylethanamine.
Last Modified29 June 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H11N
Net Charge0
Average Mass121.183
Monoisotopic Mass121.08915
SMILESC[C@H](N)c1ccccc1
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
InChIKeyRQEUFEKYXDPUSK-ZETCQYMHSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
(1S)-1-phenylethanamine (CHEBI:35321) is a 1-phenylethylamine (CHEBI:670)
(1S)-1-phenylethanamine (CHEBI:35321) is conjugate base of (1S)-1-phenylethanaminium (CHEBI:141108)
(1S)-1-phenylethanamine (CHEBI:35321) is enantiomer of (1R)-1-phenylethanamine (CHEBI:35322)
Incoming Relation(s)
(S)-N-acetyl-1-phenylethylamine (CHEBI:141109) has functional parent (1S)-1-phenylethanamine (CHEBI:35321)
(1S)-1-phenylethanaminium (CHEBI:141108) is conjugate acid of (1S)-1-phenylethanamine (CHEBI:35321)
(1R)-1-phenylethanamine (CHEBI:35322) is enantiomer of (1S)-1-phenylethanamine (CHEBI:35321)
IUPAC Name 
(1S)-1-phenylethanamine
Synonyms  Source
L-α-methylbenzylamineChemIDplus
(S)-α-methylbenzenemethanamineChemIDplus
L-(−)-α-phenylethylamineNIST Chemistry WebBook
(−)-α-phenethylamineNIST Chemistry WebBook
(S)-(−)-α-methylbenzylamineNIST Chemistry WebBook
L-(−)-1-phenylethylamineNIST Chemistry WebBook
Registry NumbersSources
Gmelin:2893Gmelin
Beilstein:2204907Beilstein
CAS:2627-86-3ChemIDplus
CAS:2627-86-3NIST Chemistry WebBook