2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic Acid
fo-3daf713094106023
Identity
- Type
- Neutral molecule
- CAS
- 7365-45-9
- EC
- 230-907-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
16- 1-[4-(2-Hydroxyethyl)-1-piperazinyl]ethane-2-sulfonic acid
- 1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-
- 2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethane-1-sulfonic acid
- 2-[4-(2-Hydroxyethyl)piperazinyl]ethanesulfonic acid
- 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
- 4-(2-Hydroxyethyl)-1-piperazineethane sulfonic acid
- 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid
- 4-(2-Hydroxyethyl)piperazine-1-(2-ethanesulfonic acid)
- Hepes
- N-(2-Hydroxyethyl)piperazine-N′-2-ethanesulfonic acid
- N-(2-Hydroxyethyl)piperazine-N′-2′-ethanesulfonic acid
- N-(2-Hydroxyethyl)piperazine-N′-ethanesulfonic acid
- N-2-Hydroxyethyl piperazine N-2-ethane sulphonic acid
- N-2-Hydroxyethylpiperazino-N′-2-ethanesulfonic acid
- N′-(2-Hydroxyethyl)piperazine-N-(2-ethanesulfonic acid)
- N′-2-Hydroxyethylpiperazine-N-2-ethanesulfonic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JKMHFZQWWAIEOD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | 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) |
| IUPAC name chemrof:IUPAC_name | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic Acid |
| Molecular formula chemrof:molecular_formula | C8H18N2O4S |
| Molecular mass chemrof:molecular_mass | 238.309 |
| Monoisotopic mass chemrof:monoisotopic_mass | 238.098728, 238.09873 |
| SMILES string chemrof:smiles_string | O=S(=O)(O)CCN1CCN(CCO)CC1 |
Known URLs
20Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| beilstein | beilstein:883043 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=7365-45-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42334 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.028.098 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5040382 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB16872 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=166663 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1232545 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RWW266YE9I | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0062295 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J29.038F | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=166279 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80933 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:EPE | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/23831 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22732654 | enrich_references.chebi_xrefs |
| reaxys | reaxys:883043 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1312611 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q418359 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/HEPES | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4eb4d85c-cb32-48ad-8da3-4b6a205876f5 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 1873c248-100e-4984-8355-e1184a3294f1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 51cb5198-95b4-40fc-ba96-88a1026639be | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4499f555-1e8d-49b0-96f3-f97291b4d860 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 901b203f-e49b-457f-b45a-fc3e498fa557 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 528e917d-e642-43c6-a0d3-790393f0fd23 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f2a5a17d-ff65-4051-8149-55097229cbbb | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 5c495128-b6fd-4109-86e6-59d2b78c1bd6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 21d7f217-23bb-4287-b179-96a7b44504f1 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f8676802-4898-45e9-aaae-7b9135c4eea2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| f070fa7b-9400-48ea-8c6a-0040a27d3c51 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 6fbffaba-2908-4ed3-838f-d68eeca18ffd | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 0da35190-e2f3-4011-99d1-e622c6014a1a | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works