Consensus flow list

Identity

Type
Neutral molecule
CAS
5902-51-2
EC
227-595-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Terbacil

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NBQCNZYJJMBDKY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)
IUPAC name chemrof:IUPAC_name 2,4(1H,3H)-Pyrimidinedione, 5-chloro-3-(1,1-dimethylethyl)-6-methyl-
Molecular formula chemrof:molecular_formula C9H13ClN2O2
Molecular mass chemrof:molecular_mass 216.668
Monoisotopic mass chemrof:monoisotopic_mass 216.066555, 216.06656
SMILES string chemrof:smiles_string Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl

Known URLs

13

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=5902-51-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9447 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.025.086 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8024317 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1901822 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S0017J6E25 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.079A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10963 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10963 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67678 enrich_references.pubchem_identifier_url
ppdb ppdb:620 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22188 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2404316 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
1f31c092-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a24e-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f827add7-1a05-4f48-bb52-d5bd6f2fb3b7 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a24d-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a24f-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a24c-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a24a-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a253-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4bccaf82643aa0488fda432c47f2ca5808123d1a Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a24b-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a251-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a254-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a250-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-a252-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-03b01700d6d6baaf",
  "prefLabel": [
    {
      "@value": "Terbacil",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
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      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-tert-Butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione",
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      }
    },
    {
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    },
    {
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    },
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      "@value": "Geonter",
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    },
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      "@value": "Sinbar",
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    },
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