1,2-dibenzoyl-1-tert-butylhydrazine
fo-25212dbe0a238fbe
Identity
- Type
- Neutral molecule
- CAS
- 112225-87-3
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
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- 1,2-Dibenzoyl-1-(tert-butyl)hydrazine
- Benzoic acid N-benzoyl-N-tert-butylhydrazide
- benzoic acid, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide
- N'-benzoyl-N-(tert-butyl)benzohydrazide
- N'-benzoyl-N-tert-butylbenzohydrazide
- RH 5849-2F
- Yishijing
Properties
| Property | Value |
|---|---|
| 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
11Where 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 | 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)
Full record
Flow object JSON
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"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"
}
}
},
"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"
}
},
{
"@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"
}
}
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works