Brightway Flows 1.0
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Benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate

fo-c866afc30cbb01ec

Identity

Type
Chemical salt
CAS
102561-46-6
EC
402-240-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XVJXBJTXFXPQAN-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C19H34N.C10H8O4S/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h10-14H,4-9,15-18H2,1-3H3;1-6,11H,(H,12,13,14)/q+1;/p-1
IUPAC name chemrof:IUPAC_name Benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate
Molecular formula chemrof:molecular_formula C29H41NO4S
Molecular mass chemrof:molecular_mass 499.717
Monoisotopic mass chemrof:monoisotopic_mass 499.27563
SMILES string chemrof:smiles_string CCCC[N+](CCCC)(CCCC)Cc1ccccc1.O=S(=O)([O-])c1ccc(O)c2ccccc12

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=102561-46-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.408 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.121.130 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8073009 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/124610 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82001364 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0f04404c-6f3c-4360-be9d-04c9fabf47c3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
623bc6eb-01a1-4015-8679-cdbbf81b06df Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
78fd5b4f-aa79-4cd1-979d-e9cde9d2ebcc Environmental → Air → Indoor EF 3.1 kg 2
452d7097-30be-4cf4-a3ce-c08fcb6b4f4f Environmental → Air → Long-term EF 3.1 kg 0
60ecde5e-a44f-45cb-8c34-78d73139ee02 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7968921b-4885-4981-ba2e-685e5dbf190f Environmental → Air → Unknown EF 3.1 kg 2
ab04d93d-e920-4ea2-8d99-109b7ce04942 Environmental → Ground → Agricultural EF 3.1 kg 2
7bbe2c8c-0e40-4e46-8078-a8b16f57416d Environmental → Ground → Non-agricultural EF 3.1 kg 2
221c10a9-53d0-4192-8ec6-faa77fe5ab6b Environmental → Ground → Unknown EF 3.1 kg 2
85201245-6ac5-4a3a-96b2-2df93962d83c Environmental → Water → Long-term EF 3.1 kg 0
fbd633cc-40e2-45a8-98f9-39fbceaaab81 Environmental → Water → Ocean EF 3.1 kg 2
7879f0cb-a96a-4c87-b890-c4d8ffd3e6f3 Environmental → Water → Surface water EF 3.1 kg 2
b2e1059e-8f30-47f0-b667-03939790dfa4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c866afc30cbb01ec",
  "prefLabel": [
    {
      "@value": "Benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Naphthalenesulfonic acid, 4-hydroxy-, ion(1-), N,N,N-tributylbenzenemethanaminium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=102561-46-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanaminium, N,N,N-tributyl-, salt with 4-hydroxy-1-naphthalenesulfonic acid (1:1)",
      "@language": "en",
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      }
    },
    {
      "@value": "Tributylbenzylammonium 1-naphthol-4-sulfonate",
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      "@value": [
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      "provenance": {
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  "references": [
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}

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