Pretilachlor
fo-1e2e31b5d486f4ab
Identity
- Type
- Neutral molecule
- CAS
- 51218-49-6
- EC
- 610-630-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
8- 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
- Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)-
- Erijan
- N-Propoxyethyl-N-chloroacetyl-2,6-diethylaniline
- Pretigan
- Pretilchlor
- Rifit
- Solnet
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | YLPGTOIOYRQOHV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide |
| Molecular formula chemrof:molecular_formula | C17H26ClNO2 |
| Molecular mass chemrof:molecular_mass | 311.853 |
| Monoisotopic mass chemrof:monoisotopic_mass | 311.165207, 311.16521 |
| SMILES string chemrof:smiles_string | CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC |
Known URLs
13Where 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=51218-49-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34931 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.121.179 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8058112 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1867271 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/617K7LM10D | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0256769 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.899F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14517 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14517 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:534 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/91644 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q3409268 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e6dd4775-8640-416c-8846-034dbe7b7632 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 63089b48-0764-43be-ad77-a86d23f98c01 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 4e1a7825-05f3-41a2-bfaf-93263b90d1f0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 48c79b0e-a4d6-4a6b-a331-41e9a43af320 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ebcf6cad-bc9c-4ac5-8a7d-704a4021230d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| b35183a4-432c-40a6-8388-a40467235eca | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| c4dc42a8-fcbb-4c5c-a194-b99b9ca992b6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 3c7819a3-8e8b-43c0-94a7-ae08d80ed0c4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 2a6ea88a67d271a06d9a04c8a5a4db58dd03b991 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| d6fb48ed-c6ce-46d3-9211-fb11b9d7403e | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4c5536b8-c58b-4b80-abbb-5d425d0d1df1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 91191562-8d36-4b57-a394-cb110e55784d | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| a45b2a27-12a8-4f76-86b4-d69bc3e9095a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| b1aa9ebe-ae22-4724-883b-b2054a0cff03 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
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"seed_uuid": "3c7819a3-8e8b-43c0-94a7-ae08d80ed0c4",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"51218-49-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=51218-49-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=51218-49-6"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"610-630-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=610-630-3"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}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