Pentanochlor
fo-957e762adb9c311a
Identity
- Type
- Neutral molecule
- CAS
- 2307-68-8
- EC
- 218-988-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
14- 2-Methyl-pentanoic acid (3-chloro-4-methyl-phenyl)-amide
- 3′-Chloro-2,4′-dimethylvaleranilide
- 3′-Chloro-2-methyl-p-valerotoluidide
- Chlorpentan
- CMMP
- CMMP (herbicide)
- Dutom
- Hortox
- N-(3-Chloro-4-methylphenyl)-2-methylpentanamide
- p-Valerotoluidide, 3′-chloro-2-methyl-
- Pentanamide, N-(3-chloro-4-methylphenyl)-2-methyl-
- Solan
- Solan (herbicide)
- Solane
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WGVWLKXZBUVUAM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16) |
| IUPAC name chemrof:IUPAC_name | 2-Methyl-pentanoic acid (3-chloro-4-methyl-phenyl)-amide |
| Molecular formula chemrof:molecular_formula | C13H18ClNO |
| Molecular mass chemrof:molecular_mass | 239.746 |
| Monoisotopic mass chemrof:monoisotopic_mass | 239.10769, 239.107692 |
| SMILES string chemrof:smiles_string | CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1 |
Known URLs
12Where 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=2307-68-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82030 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.017.263 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3042265 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5U5R396S8D | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0256277 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.392J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18882 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18882 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:514 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16826 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q22808508 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 356164ce-5b00-4380-8d26-f2904f9d9421 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| accbbd50-aa51-4301-8b07-36cf6704d66f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| a0a0d152-0d2a-4f62-876a-5bc09fc4cdc3 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 5b1983c4-ea19-4715-a0c6-8e63faad29d7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3e968f87-c958-4173-846c-75531478ebc7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| d0e7df9b-c58c-4cd9-9543-6f4398f497d9 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 95192e49-7757-423c-ac52-269de47afc22 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| bd9b0762-ef2a-42f6-9a7e-7cb027aa5096 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 20303ebe88f9dfe5fc4fba9db0e1ee205822ece4 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 26452b87-8486-43e8-9372-d44be2002a6a | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 03304fab-a106-4e9c-b868-7683f39949b1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 120645da-4564-4a59-abdb-0039dc467f88 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 1cc3c383-80c5-439d-9720-668ed9ae852a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| e88f8712-6482-4d70-bfd4-b06c005f7c2e | 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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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