Consensus flow list

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

Structure diagram for 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic Acid

Alternative labels

16

Properties

PropertyValue
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

20

Where 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.org 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)

Open the changes page

Full record

Flow object JSON 
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