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

Main ChEBI Ontology Automatic Xrefs
ChEBI Name 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
ChEBI ID CHEBI:42334
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42332, CHEBI:32949
Supplier Information
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Formula C8H18N2O4S
Net Charge 0
Average Mass 238.30560
InChI InChI=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)
InChIKey JKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES OCCN1CCN(CC1)CCS(O)(=O)=O
Roles Classification
Chemical Role(s): 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.
(via HEPES )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID PDBeChem
4-(2-Hydroxyethyl)-1-piperazineethane sulfonic acid ChemIDplus
Hepes ChemIDplus
Database Link Database
EPE PDBeChem
View more database links
Registry Numbers Types Sources
7365-45-9 CAS Registry Number ChemIDplus
883043 Beilstein Registry Number Beilstein
883043 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22732654 PubMed citation CiteXplore
Last Modified
09 July 2014