Consensus flow list

Morpholin-4-ium 4-methylbenzenesulfonate

fo-d3472945212f418d

Identity

Type
Chemical salt
CAS
13732-62-2
EC
237-301-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Morpholin-4-ium 4-methylbenzenesulfonate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LYWVNPSVLAFTFX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-6-4-2-5-1/h2-5H,1H3,(H,8,9,10);5H,1-4H2
IUPAC name chemrof:IUPAC_name Morpholin-4-ium 4-methylbenzenesulfonate
Molecular formula chemrof:molecular_formula C11H17NO4S
Molecular mass chemrof:molecular_mass 259.327
Monoisotopic mass chemrof:monoisotopic_mass 259.087829
SMILES string chemrof:smiles_string C1COCC[NH2+]1.Cc1ccc(S(=O)(=O)[O-])cc1

Known URLs

6

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=13732-62-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.033.896 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9065601 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/71432021 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/83691 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81992288 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
714ceff3-59f5-4faa-ac70-b3d8e39994a9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ebbfce8f-eeb1-405b-9170-a3dd61079681 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d0403c03-4eb6-4209-818b-0ba7aaceca3f Environmental → Air → Indoor EF 3.1 kg 4
6efc5e92-d837-412c-9683-49cf881db050 Environmental → Air → Long-term EF 3.1 kg 0
cd1870d3-4d12-4794-a076-56ad6b389479 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
71509680-5229-46ac-a414-7441cb83afdb Environmental → Air → Unknown EF 3.1 kg 4
55a783d0-f2c5-41f6-9729-d9a0279485a4 Environmental → Ground → Agricultural EF 3.1 kg 4
dc4814a0-5b52-4e38-a3fd-01b10882ba9a Environmental → Ground → Non-agricultural EF 3.1 kg 4
c40597a2-bb84-4125-acd6-caa81c9360df Environmental → Ground → Unknown EF 3.1 kg 4
a52b5810-9aa7-48c9-8ac4-31293afe99d7 Environmental → Water → Long-term EF 3.1 kg 0
696e8c2c-a255-4b99-926f-8d8a7137ed2c Environmental → Water → Ocean EF 3.1 kg 4
84f8fcb7-231c-4cb2-8455-fee9b8b21176 Environmental → Water → Surface water EF 3.1 kg 4
52b8ba6d-56bc-451f-b8c4-b1bbab7df275 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "4-Methylbenzenesulfonic acid morpholine salt",
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    {
      "@value": "Morpholine tosylate",
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}

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