Brightway Flows 1.0
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4-methylimidazole

fo-91e20990682a0d90

Identity

Type
Neutral molecule
CAS
822-36-6
EC
212-497-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-methylimidazole

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XLSZMDLNRCVEIJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
IUPAC name chemrof:IUPAC_name 4-methylimidazole
Molecular formula chemrof:molecular_formula C4H6N2
Molecular mass chemrof:molecular_mass 82.106
Monoisotopic mass chemrof:monoisotopic_mass 82.053098, 82.0531
SMILES string chemrof:smiles_string Cc1c[nH]cn1

Known URLs

25

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=822-36-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:40035 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.361 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9025617 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB03385 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=40744 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1230309 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q64GF9FV4I enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246511 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.099D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19262 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19262 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56358 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:4MZ enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1230309 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13195 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16180012 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17619857 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2079523 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2254202 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24161 enrich_references.chebi_xrefs
reaxys reaxys:1453 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q230021 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Methylimidazole enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/4-methylimidazole enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
24e6186a-c470-49f0-aa76-a53b905019eb Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c6ecedad-3a85-4529-aaa1-1fb41bc9d236 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5de13dd1-e8a4-46c4-b9df-3101a46cdea6 Environmental → Air → Indoor EF 3.1 kg 2
1a043d66-5a30-4911-806d-f65cdb83bbe3 Environmental → Air → Long-term EF 3.1 kg 0
86354fe4-7311-4c65-8b93-258041458064 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2cb03f68-168d-4ff3-924c-0b5e69805da1 Environmental → Air → Unknown EF 3.1 kg 2
e0cc8ec1-dfea-4e8b-9d41-11e9e3ddd5d4 Environmental → Ground → Agricultural EF 3.1 kg 2
0f2c7b65-351b-4fd3-8879-7e409efc661d Environmental → Ground → Non-agricultural EF 3.1 kg 2
a59b2347-b43e-48ae-b161-95c5da07de8f Environmental → Ground → Unknown EF 3.1 kg 2
edf8f9ff-3c3e-4653-9b8c-d078e9f2fd56 Environmental → Water → Long-term EF 3.1 kg 0
3fa007a4-194c-4044-9376-57def4b0b709 Environmental → Water → Ocean EF 3.1 kg 2
4fac5b66-2dbb-45c6-bd35-83576839c830 Environmental → Water → Surface water EF 3.1 kg 2
4cf6f818-a453-4756-af1c-35f18b7aa698 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 
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