CHEBI:143110 - 3-(phenethylamino)-butan-2-one(1+)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-(phenethylamino)-butan-2-one(1+)
ChEBI ID CHEBI:143110
Definition Major species at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C12H18NO
Net Charge +1
Average Mass 192.281
Monoisotopic Mass 192.13829
InChI InChI=1S/C12H17NO/c1-10(11(2)14)13-9-8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/p+1
InChIKey WGOUDWYOCIOVMG-UHFFFAOYSA-O
SMILES C1(=CC=CC=C1)CC[NH2+]C(C(C)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-(phenethylamino)-butan-2-one(1+) (CHEBI:143110) is a benzenes (CHEBI:22712)
3-(phenethylamino)-butan-2-one(1+) (CHEBI:143110) is a methyl ketone (CHEBI:51867)
3-(phenethylamino)-butan-2-one(1+) (CHEBI:143110) is a secondary amino compound (CHEBI:50995)
3-(phenethylamino)-butan-2-one(1+) (CHEBI:143110) is a volatile organic compound (CHEBI:134179)
3-(phenethylamino)-butan-2-one(1+) (CHEBI:143110) is conjugate acid of 3-(phenethylamino)-butan-2-one (CHEBI:143030)
Incoming 3-(phenethylamino)-butan-2-one (CHEBI:143030) is conjugate base of 3-(phenethylamino)-butan-2-one(1+) (CHEBI:143110)
Synonyms Sources
3-(phenethylamino)-butan-2-one UniProt
schleiferon A SUBMITTER
Citations Waiting for Citations Types Sources
27720237 PubMed citation SUBMITTER
30442919 PubMed citation SUBMITTER