Consensus flow list

Sodium Chloride - 1-benzylpyridinium-3-carboxylate (1:1)

fo-682df5a8b7261870

Identity

Type
Chemical salt
CAS
68133-60-8
EC
268-692-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Sodium Chloride - 1-benzylpyridinium-3-carboxylate (1:1)

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QXLTTYBWPJKZCS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H11NO2.ClH.Na/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;;/h1-8,10H,9H2;1H;
IUPAC name chemrof:IUPAC_name 1-Benzyl-3-carboxypyridinium chloride sodium salt
Molecular formula chemrof:molecular_formula C13H12ClNNaO2
Molecular mass chemrof:molecular_mass 272.687
Monoisotopic mass chemrof:monoisotopic_mass 272.045426
SMILES string chemrof:smiles_string O=C(O)c1ccc[n+](Cc2ccccc2)c1.[Cl-].[Na]

Known URLs

2

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=68133-60-8 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69864113 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
4d324298-5e04-4d4c-aa20-59ceb067429f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
28646d07-e933-42a7-99e7-2d231e304341 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
96281ff8-f623-4778-83ba-b3357acd26b6 Environmental → Air → Indoor EF 3.1 kg 2
745d3cc7-59c2-4a54-bede-dbe34da99005 Environmental → Air → Long-term EF 3.1 kg 0
4e771a89-3564-497e-a4aa-f5d846e8e283 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
48aee495-73c9-4dbc-a4d6-671937c2d4f8 Environmental → Air → Unknown EF 3.1 kg 2
600b924f-3d88-4aa9-8103-9bffe1f5895a Environmental → Ground → Agricultural EF 3.1 kg 2
8b0b1384-df53-47e0-a3ae-1db303b1da3c Environmental → Ground → Non-agricultural EF 3.1 kg 2
d49fd968-2498-4b89-b652-18c7a8cc57d0 Environmental → Ground → Unknown EF 3.1 kg 2
b82928af-55e7-44a9-8a0c-245a99c7a3b6 Environmental → Water → Long-term EF 3.1 kg 0
4ca9acb4-1364-4c85-b4d3-8942fb1ab78a Environmental → Water → Ocean EF 3.1 kg 2
2877c817-bbe6-4b3b-884b-676bf82099cb Environmental → Water → Surface water EF 3.1 kg 2
81d3fae4-2bd6-441a-9a97-46708a1d086d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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    {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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