Consensus flow list

1,2-dibenzoyl-1-tert-butylhydrazine

fo-25212dbe0a238fbe

Identity

Type
NeutralMolecule
CAS
112225-87-3
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,2-dibenzoyl-1-tert-butylhydrazine

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NISLLQUWIJASOV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)15-12-8-5-9-13-15)19-16(21)14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21)
IUPAC name chemrof:IUPAC_name 1,2-dibenzoyl-1-tert-butylhydrazine
Molecular formula chemrof:molecular_formula C18H20N2O2
Molecular mass chemrof:molecular_mass 296.37
Monoisotopic mass chemrof:monoisotopic_mass 296.152478, 296.15248
SMILES string chemrof:smiles_string CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1

Known URLs

11

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
beilstein beilstein:4257030 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=112225-87-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38457 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.357.900 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7073800 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL387744 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LA6UVC88VD enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J381.714H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55875 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86307 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27117862 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
68874730-6323-4d12-8934-94ae4c28100f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f134c055-3be1-4c4d-a5c8-be5c8f1ebebe Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4952e4e2-9617-4808-ad16-837864e66f9c Environmental → Air → Indoor EF 3.1 kg 2
1bd80e7f-e057-42b7-9649-12530247cc34 Environmental → Air → Long-term EF 3.1 kg 0
06085c5f-6c3b-4a6f-9697-b8ab9fa33b37 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ff90328b-b9c5-43e0-b974-6e7c83d30e6f Environmental → Air → Unknown EF 3.1 kg 2
c3f21013-e730-40e4-b38c-39172e552ff1 Environmental → Ground → Agricultural EF 3.1 kg 2
7e3629ce-ffe9-488f-b558-2459a595ac54 Environmental → Ground → Non-agricultural EF 3.1 kg 2
21bd7ed6-c0e6-431d-ac15-45de913133bf Environmental → Ground → Unknown EF 3.1 kg 2
2494517d-e48a-4ea8-867e-6b71c966b391 Environmental → Water → Long-term EF 3.1 kg 0
026bc393-2ba4-45b0-9515-c50a63748037 Environmental → Water → Ocean EF 3.1 kg 2
783f647a-5e42-4f5f-a3a6-fe182a4efda4 Environmental → Water → Surface water EF 3.1 kg 2
aefe4c30-b45b-4192-ad42-e7bf028ddc7b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=112225-87-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=112225-87-3"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24852",
      "rdfs:label": "insecticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill members of the class <em>Insecta</em>.  In common usage, any substance used for preventing, destroying, repelling or controlling insects.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
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    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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