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CHEBI:42334 - 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid

ChEBI IDCHEBI:42334
ChEBI Name2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
Stars
DefinitionA HEPES that is ethanesulfonic acid in which one of the methyl hydrogens is replaced by a 4-(2-hydroxyethyl)piperazin-1-yl group. A Good's buffer substance, pKa = 7.55 at 20 °C.
Secondary ChEBI IDsCHEBI:32949, CHEBI:42332
Last Modified21 November 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H18N2O4S
Net Charge0
Average Mass238.309
Monoisotopic Mass238.09873
SMILESO=S(=O)(O)CCN1CCN(CCO)CC1
InChIInChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKeyJKMHFZQWWAIEOD-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Good's buffer substance  Any member of a collection of zwitterionic buffer substances selected or devised for suitability in experimental biological systems according to a number of predetermined criteria. Named after Dr. Norman Good.
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).
ChEBI Ontology
Outgoing Relation(s)
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (CHEBI:42334) is a HEPES (CHEBI:46756)
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (CHEBI:42334) is a organosulfonic acid (CHEBI:33551)
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (CHEBI:42334) is conjugate acid of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate (CHEBI:46757)
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (CHEBI:42334) is tautomer of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate (CHEBI:46755)
Incoming Relation(s)
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate (CHEBI:46757) is conjugate base of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (CHEBI:42334)
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate (CHEBI:46755) is tautomer of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (CHEBI:42334)
IUPAC Name 
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
Synonyms  Source
4-(2-Hydroxyethyl)-1-piperazineethane sulfonic acidChemIDplus
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACIDPDBeChem
HepesChemIDplus
Manual XrefsDatabases
EPEPDBeChem
Registry NumbersSources
Beilstein:883043Beilstein
Reaxys:883043Reaxys
CAS:7365-45-9ChemIDplus
Citations