3-pyridinium-1-ylpropane-1-sulfonate

1-(3-Sulfopropyl)pyridinium betaine
1-(3-Sulfopropyl)pyridinium hydroxide, inner salt
1-Pyridiniumpropane-3-sulfonate
3-(1-Pyridinio)-1-propanesulfonate
3-(1-Pyridino)-1-propane sulfonate
3-Pyridin-1-ium-1-ylpropane-1-sulfonate
N-Propylpyridinesulfonic acid betaine
PPS
Pyridinium propylsulfobetaine
Pyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt
Pyridinium, 1-(3-sulfopropyl)-, inner salt

Property	Value
InChI2D key string chemrof:inchi2d_key_string	REEBJQTUIJTGAL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
IUPAC name chemrof:IUPAC_name	3-pyridinium-1-ylpropane-1-sulfonate
Molecular formula chemrof:molecular_formula	C8H11NO3S
Molecular mass chemrof:molecular_mass	201.247
Monoisotopic mass chemrof:monoisotopic_mass	201.045964
SMILES string chemrof:smiles_string	O=S(=O)([O-])CCC[n+]1ccccc1

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=15471-17-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.035.886	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3044592	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QN4I6AI9EK	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J236.249J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/84929	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27287352	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
95a8ef8c-e951-4aaf-a29e-5f61a8327b25	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
def6bf94-2873-48d6-9170-0227e49297dc	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
c3f946ea-e026-4586-820e-2a453e19e900	Environmental → Air → Indoor	EF 3.1	kg	4
42d0333c-1190-4324-ab3b-70b5b70fee09	Environmental → Air → Long-term	EF 3.1	kg	0
22d271bd-357e-4c58-8ae8-19a28f9d29bb	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
d487b3e4-2730-4982-a0bf-e6d2e783300d	Environmental → Air → Unknown	EF 3.1	kg	4
36a4563b-c631-4552-b2b1-9ee2fd2b5a15	Environmental → Ground → Agricultural	EF 3.1	kg	4
b98f2270-00d6-4c73-ae53-586b2f4c5c75	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
ffeadbff-f434-43c6-bc62-d098f6d1a6ac	Environmental → Ground → Unknown	EF 3.1	kg	4
a36bd468-cec7-4c8d-9351-97adc1848597	Environmental → Water → Long-term	EF 3.1	kg	0
783833a4-0df2-4ce4-8c61-3e9cd4cd6000	Environmental → Water → Ocean	EF 3.1	kg	4
9d3f41c7-540e-4373-b380-55c9cc7d1196	Environmental → Water → Surface water	EF 3.1	kg	4
347670ed-4b1a-4964-97d8-e207e498732b	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

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Flow object JSON

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3-pyridinium-1-ylpropane-1-sulfonate

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