Consensus flow list

Identity

Type
Neutral molecule
CAS
41438-38-4
EC
680-341-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,4-diethyl Pyridine-2,4-dicarboxylate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MUUDQLHCIAOWPR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,4-diethyl Pyridine-2,4-dicarboxylate
Molecular formula chemrof:molecular_formula C11H13NO4
Molecular mass chemrof:molecular_mass 223.228
Monoisotopic mass chemrof:monoisotopic_mass 223.084458
SMILES string chemrof:smiles_string CCOC(=O)c1ccnc(C(=O)OCC)c1

Known URLs

8

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=41438-38-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.114.112 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00961682 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4SN4572M5S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.337.719G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/170509 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27260438 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Diethyl_lutidinate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f5770071-5bbc-4ff1-add4-ede6cec55640 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
852818d1-ca83-4a8c-a867-8fd3c1d82f83 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
dabcfa14-a74d-40c7-8534-d6cc2e5962d0 Environmental → Air → Indoor EF 3.1 kg 2
b891ded8-7560-47cc-b07b-0231154fd2c4 Environmental → Air → Long-term EF 3.1 kg 0
c7517d0f-ca59-4b0f-a79c-2e3bf77a040e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e233a210-ba35-4407-a24a-aafeb3e4f93d Environmental → Air → Unknown EF 3.1 kg 2
da48ce10-ed56-4ab5-910a-476b40561c43 Environmental → Ground → Agricultural EF 3.1 kg 2
f0017dd6-e8c5-4603-9ad4-978c1d9eda86 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d3b08420-122e-4973-92e1-5d306a20e226 Environmental → Ground → Unknown EF 3.1 kg 2
e9229f6f-3487-4b7a-9c61-823c943a2e8f Environmental → Water → Long-term EF 3.1 kg 0
2ba36de0-68a0-42f4-a72e-24dc2db45ac0 Environmental → Water → Ocean EF 3.1 kg 2
7f0961c0-2271-4ac0-9403-cb24304cf755 Environmental → Water → Surface water EF 3.1 kg 2
11f649a2-e42e-422c-8338-4e1f19100f84 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-adc823ebeaee8086",
  "prefLabel": [
    {
      "@value": "2,4-diethyl Pyridine-2,4-dicarboxylate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4-Pyridinedicarboxylic acid, 2,4-diethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2,4-Pyridinedicarboxylic acid, diethyl ester",
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        ],
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    },
    {
      "@value": "Diethyl 2,4-pyridinedicarboxylate",
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    },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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