Potassium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate
PubChem CID
23702134
Structure
Molecular Formula
Synonyms
- 82207-62-3
- HEPES potassium salt
- Potassium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate
- 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid potassium salt
- potassium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate
Molecular Weight
276.40 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Component Compounds
Dates
- Create:2008-02-05
- Modify:2024-12-07
Chemical Structure Depiction
3D Conformer of Parent
potassium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C8H18N2O4S.K/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);/q;+1/p-1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
KWURIFKZTJGMFD-UHFFFAOYSA-M
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1CN(CCN1CCO)CCS(=O)(=O)[O-].[K+]
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C8H17KN2O4S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
82207-62-3
- 82207-62-3
- HEPES potassium salt
- Potassium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate
- 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid potassium salt
- potassium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate
- N-(2-Hydroxyethyl)piperazine-N'-(2-ethanesulfonic acid) potassium salt
- Potassium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonate
- potassium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate
- MFCD00043438
- SCHEMBL366682
- DTXSID00635730
- KWURIFKZTJGMFD-UHFFFAOYSA-M
- 1-Piperazineethanesulfonicacid, 4-(2-hydroxyethyl)-, potassium salt (1:1)
- AKOS024386293
- CS-W020939
- AS-71283
- HEPES potassium salt, >=99.5% (titration)
- HEPES potassium salt, >=97.0% (dried material, NT)
- Potassium2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
276.40 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
276.05460969 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
276.05460969 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
92.3Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
272
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
The Australian Inventory of Industrial Chemicals
Chemical: 1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-, monopotassium salt
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=KWURIFKZTJGMFD-UHFFFAOYSA-M
- Australian Industrial Chemicals Introduction Scheme (AICIS)1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-, monopotassium salthttps://services.industrialchemicals.gov.au/search-inventory/
- EPA DSSToxPotassium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonatehttps://comptox.epa.gov/dashboard/DTXSID00635730CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- WikidataPotassium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonatehttps://www.wikidata.org/wiki/Q82544136
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 391525397https://pubchem.ncbi.nlm.nih.gov/substance/391525397
CONTENTS