EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:134915 - nicametate

Default Structure
ChEBI IDCHEBI:134915
ChEBI Namenicametate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC12H18N2O2
Net Charge0
Average Mass222.288
Monoisotopic Mass222.13683
SMILESCCN(CC)CCOC(=O)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyJVWOCHRRAWHKLT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
nicametate (CHEBI:134915) is a aromatic carboxylic acid (CHEBI:33859)
nicametate (CHEBI:134915) is a pyridines (CHEBI:26421)
Synonym  Source
beta-Diethylaminoethyl nicotinateDrugCentral
Manual XrefsDatabases
3793DrugCentral
Registry NumbersSources
CAS:3099-52-3DrugCentral