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

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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 ChemicalBook:CB5408557, eMolecules:516116, eMolecules:10178720, ZINC000019203136
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Formula C8H18N2O4S
Net Charge 0
Average Mass 238.300
Monoisotopic Mass 238.09873
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 C1N(CCS(=O)(=O)O)CCN(CCO)C1
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 )
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 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
Manual Xref 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
Weltzin MM, Huang Y, Schulte MK (2014)
Allosteric modulation of alpha4beta2 nicotinic acetylcholine receptors by HEPES.
European journal of pharmacology 732, 159-168 [PubMed:22732654]
[show Abstract]
Last Modified
21 November 2019