Consensus flow list

Identity

Type
Molecular complex
CAS
2624-17-1
EC
685-281-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 1,3,5-triazinane-2,4,6-trione

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QBILQWNTFUSQBC-UHFFFAOYSA-N, QHFDHWJHIAVELW-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C3H3N3O3.Na/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);
IUPAC name chemrof:IUPAC_name Sodium 1,3,5-triazinane-2,4,6-trione
Molecular formula chemrof:molecular_formula C3H2N3NaO3, C3H3N3NaO3
SMILES string chemrof:smiles_string O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na]

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=2624-17-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.149.423 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9043720 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8OQZ70DYX0 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23721627 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27270832 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a25ae802-629e-4c44-8a19-a5d1185e97fe Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0924a7ec-4a77-42a4-b5c3-8490c725572e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
23e3acdc-14eb-40f0-b62f-925df2b4c063 Environmental → Air → Indoor EF 3.1 kg 4
b4c3aac8-d93a-4887-82ba-447660a9472d Environmental → Air → Long-term EF 3.1 kg 0
40f28b76-da67-4537-980f-373eb2bab647 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
71a98a3c-ebd8-4451-a4f7-3968df8cef4f Environmental → Air → Unknown EF 3.1 kg 4
fb08f0f4-2485-4d20-b711-349eb9841ae4 Environmental → Ground → Agricultural EF 3.1 kg 4
c4d59966-2d82-406f-b098-18f87b653479 Environmental → Ground → Non-agricultural EF 3.1 kg 4
256e7741-4db8-4d75-95cb-22a2d8ffa9ff Environmental → Ground → Unknown EF 3.1 kg 4
8beeb9f0-6f19-4e7a-9eb0-9f70ccadfc00 Environmental → Water → Long-term EF 3.1 kg 0
1a67773b-0750-43c1-aed5-32641aab16a3 Environmental → Water → Ocean EF 3.1 kg 4
0ae810cf-d951-4a46-bc01-31c3687b323a Environmental → Water → Surface water EF 3.1 kg 4
f1cd666b-c99e-459d-b169-dae5d9fb5f87 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
{
  "flow_object_id": "fo-21aca6326cdafaf0",
  "prefLabel": [
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      "@value": "Sodium 1,3,5-triazinane-2,4,6-trione",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, monosodium salt",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, sodium salt (1:1)",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4,6-Trihydroxy-[1,3,5]triazine monosodium salt",
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      }
    },
    {
      "@value": "Cyanuric acid sodium salt (1:1)",
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    },
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      "@value": "Monosodium isocyanurate",
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      "@value": "s-Triazine-2,4,6(1H,3H,5H)-trione, monosodium salt",
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      "@value": "Sodium, [(4,6-dihydroxy-s-triazin-2-yl)oxy]-",
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}

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