CHEBI:521021 - 4-(butylamino)benzoic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-(butylamino)benzoic acid ChEBI ID CHEBI:521021 Definition 4-Aminobenzoic acid in which one of the hydrogens attached to the nitrogen is substituted by a butyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H15NO2 Net Charge 0 Average Mass 193.24230 Monoisotopic Mass 193.11028 InChI InChI=1S/C11H15NO2/c1-2-3-8-12-10-6-4-9(5-7-10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14) InChIKey YCCRFDDXAVMSLM-UHFFFAOYSA-N SMILES CCCCNc1ccc(cc1)C(O)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-(butylamino)benzoic acid (CHEBI:521021) is a aromatic amino acid (CHEBI:33856) Incoming benzonatate (CHEBI:3032) has functional parent 4-(butylamino)benzoic acid (CHEBI:521021) IUPAC Name 4-(butylamino)benzoic acid Synonyms Sources 4-(N-butylamino)benzoic acid ChEBI 4-n-butylaminobenzoic acid ChemIDplus butyl-para-aminobenzoic acid ChEMBL p-(butylamino)benzoic acid ChemIDplus Registry Numbers Types Sources 2803521 Beilstein Registry Number Beilstein 4740-24-3 CAS Registry Number ChemIDplus Citation Type Source 17300161 PubMed citation ChEMBL Last Modified 08 July 2010