Consensus flow list

Identity

Type
NeutralMolecule
CAS
15214-89-8
EC
239-268-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (1z)-n-(2-methyl-1-sulfopropan-2-yl)prop-2-enimidic Acid

Alternative labels

27

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XHZPRMZZQOIPDS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
IUPAC name chemrof:IUPAC_name 1-Propanesulfonic acid, 2-acrylamido-2-methyl-
Molecular formula chemrof:molecular_formula C7H13NO4S
Molecular mass chemrof:molecular_mass 207.251
Monoisotopic mass chemrof:monoisotopic_mass 207.056529, 207.05653
SMILES string chemrof:smiles_string C=CC(=O)NC(C)(C)CS(=O)(=O)O

Known URLs

14

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=15214-89-8 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=27119-07-9 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:166476 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.683 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.58836.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5027770 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1907040 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/490HQE5KI5 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031200 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.141A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44746 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/65360 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q209301 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Acrylamido-2-methylpropane_sulfonic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
21748747-f2be-4a5b-b02f-dedf196aca90 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
25d14a7f-a7ee-4630-803b-84b0a4d9bb36 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a53bf9fa-2d39-4d23-8a42-eae6bf032b5b Environmental → Air → Indoor EF 3.1 kg 4
3404df71-fb87-4c94-9751-7c743a9a72a6 Environmental → Air → Long-term EF 3.1 kg 0
0e2aafa9-7594-4ea3-ba2d-420cbdd8b2a0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
bb6dabf1-07ec-4503-9cba-f4c84df9d461 Environmental → Air → Unknown EF 3.1 kg 4
2d85c312-7d0c-4b07-af5b-d16d38193356 Environmental → Ground → Agricultural EF 3.1 kg 4
8f8d7638-604e-4b46-be4e-c5374128b43d Environmental → Ground → Non-agricultural EF 3.1 kg 4
e2123bb1-76ee-4bef-a020-803b9d15e438 Environmental → Ground → Unknown EF 3.1 kg 4
116bf788-8aec-4614-9130-0cf6488595f0 Environmental → Water → Long-term EF 3.1 kg 0
b3942420-106d-4938-a1eb-b354fab84342 Environmental → Water → Ocean EF 3.1 kg 4
3685f1a1-81cf-422f-97c8-5282068d3280 Environmental → Water → Surface water EF 3.1 kg 4
1d30a60d-1576-4302-a2de-779050fddfcc 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
{
  "flow_object_id": "fo-c64aeaaa1984bea1",
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  ],
  "altLabel": [
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      "@value": "N-tert-Butylacrylamidosulfonic acid",
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      "@value": "tert-Butylacrylamidosulfonic acid",
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