Consensus flow list

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

Structure diagram for Pentanochlor

Alternative labels

14

Properties

PropertyValue
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

12

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
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.org 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)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-957e762adb9c311a",
  "prefLabel": [
    {
      "@value": "Pentanochlor",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Methyl-pentanoic acid (3-chloro-4-methyl-phenyl)-amide",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "3′-Chloro-2,4′-dimethylvaleranilide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3′-Chloro-2-methyl-p-valerotoluidide",
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      }
    },
    {
      "@value": "Chlorpentan",
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    },
    {
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    {
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    {
      "@value": "Dutom",
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    },
    {
      "@value": "N-(3-Chloro-4-methylphenyl)-2-methylpentanamide",
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    {
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    },
    {
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    {
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  "properties": {
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