Diclocymet
fo-150559c2952bd1fc
Identity
- Type
- NeutralMolecule
- CAS
- 139920-32-4
- EC
- —
- Origin
- ecoinvent-3.12 hybrid_name_cas_v1
- Changes
- 0 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
What it is used for
4
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 |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| fungicide CHEBI:24127 | A substance used to destroy fungal pests. | ChEBI |
| 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
1- 2-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | YEJGPFZQLRMXOI-PKEIRNPWSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)/t9-,12?/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C[C@@H](NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)cc1Cl |
| IUPAC name chemrof:IUPAC_name | 2-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide |
| Molecular formula chemrof:molecular_formula | C15H18Cl2N2O |
| Molecular mass chemrof:molecular_mass | 313.228 |
| Monoisotopic mass chemrof:monoisotopic_mass | 312.079619, 312.07962 |
| SMILES string chemrof:smiles_string | CC(NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)cc1Cl |
Known URLs
6Where 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=139920-32-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81799 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C18518 | enrich_references.chebi_xrefs |
| pesticides | pesticides:diclocymet | enrich_references.chebi_xrefs |
| ppdb | ppdb:2559 | enrich_references.chebi_xrefs |
| reaxys | reaxys:8422721 | enrich_references.chebi_xrefs |
Elementary flows
7| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6d570e0ad4ed4f2d0d5ce8498ed4fe80b9203356 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| 0d45983dcfbc295c670dcec7c1ab113849d760df | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| dfaa6524a943d1b20512a4c32957ba4a2430de4c | Environmental → Ground → Agricultural | ecoinvent algorithm addition | kg | 0 |
| 6358dc3b0e3867a913037c68651b24a85ab755e0 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| f363ce64484bb47b6ff9ce082e877b2cfca2f792 | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| e46ea173d2fbd9cbf388a33774e9f7802732ba1f | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| 23454e3b93039b24c6283a8e575474f17c00a19e | Environmental → Water → Unknown | ecoinvent algorithm addition | kg | 0 |
History
Everything that changed this substance (0 changes)
Full record
Flow object JSON
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