3-pyridinium-1-ylpropane-1-sulfonate

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3-pyridinium-1-ylpropane-1-sulfonate

UUID b98f2270-00d6-4c73-ae53-586b2f4c5c75

Flow Object ID fo-6ad773d9c6472838

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 15471-17-7

EC Numbers 239-491-3

prefLabel

Language	Value	Provenance
`en`	`3-pyridinium-1-ylpropane-1-sulfonate`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-(3-Sulfopropyl)pyridinium betaine`
`en`	`1-(3-Sulfopropyl)pyridinium hydroxide, inner salt`
`en`	`1-Pyridiniumpropane-3-sulfonate`
`en`	`3-(1-Pyridinio)-1-propanesulfonate`
`en`	`3-(1-Pyridino)-1-propane sulfonate`
`en`	`3-Pyridin-1-ium-1-ylpropane-1-sulfonate`
`en`	`<em>N</em>-Propylpyridinesulfonic acid betaine`
`en`	`NDSB 201`
`en`	`PPS`
`en`	`Pyridinium propylsulfobetaine`
`en`	`Pyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt`
`en`	`Pyridinium, 1-(3-sulfopropyl)-, inner salt`

References

Shared Properties

Predicate	Value
InChIKey	`REEBJQTUIJTGAL-UHFFFAOYSA-N, REEBJQTUIJTGAL-UHFFFAOYSA-O`
InChI	`InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2, InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2/p+1`
IUPAC name	`3-(1-pyridin-1-iumyl)-1-propanesulfonate, 3-(1-pyridin-1-iumyl)-1-propanesulfonic acid, 3-pyridin-1-ium-1-ylpropane-1-sulfonate, 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid`
Molecular formula	`C8H11NO3S, C8H12NO3S+`
SMILES	`C1=CC=[N+](C=C1)CCCS(=O)(=O)O, C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`b98f2270-00d6-4c73-ae53-586b2f4c5c75`	3-pyridinium-1-ylpropane-1-sulfonate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-pyridinium-1-ylpropane-1-sulfonate	Emissions/Emissions to soil/Emissions to non-agricultural soil	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=3-pyridinium-1-ylpropane-1-sulfonate\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=15471-17-7; added Common Chemistry CAS names as altLabel: 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, <em>N</em>-Propylpyridinesulfonic acid betaine, NDSB 201, PPS, Pyridinium propylsulfobetaine, Pyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt, Pyridinium, 1-(3-sulfopropyl)-, inner salt; object_uuid=fo-6ad773d9c6472838
`cas_match_labels`	1	`—`	consensus_match	group_key=3-pyridinium-1-ylpropane-1-sulfonate\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15471-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ad773d9c6472838: {'15471-17-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-(3-Sulfopropyl)pyridinium betaine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(3-Sulfopropyl)pyridinium hydroxide, inner salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Pyridiniumpropane-3-sulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(1-Pyridinio)-1-propanesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(1-Pyridino)-1-propane sulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Pyridin-1-ium-1-ylpropane-1-sulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Propylpyridinesulfonic acid betaine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NDSB 201', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PPS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyridinium propylsulfobetaine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyridinium, 1-(3-sulfopropyl)-, inner salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15471-17-7', 'https://commonchemistry.cas.org/detail?cas_rn=15471-17-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-pyridinium-1-ylpropane-1-sulfonate\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=15471-17-7; added Common Chemistry CAS names as altLabel: 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, <em>N</em>-Propylpyridinesulfonic acid betaine, NDSB 201, PPS, Pyridinium propylsulfobetaine, Pyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt, Pyridinium, 1-(3-sulfopropyl)-, inner salt; object_uuid=fo-6ad773d9c6472838
`cas_match_labels`	`None`	`{'15471-17-7': 'exactMatch'}`	group_key=3-pyridinium-1-ylpropane-1-sulfonate\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15471-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ad773d9c6472838: {'15471-17-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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