Consensus flow list

Identity

Type
Neutral molecule
CAS
108-89-4
EC
203-626-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-methylpyridine

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FKNQCJSGGFJEIZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
IUPAC name chemrof:IUPAC_name 4-methylpyridine
Molecular formula chemrof:molecular_formula C6H7N
Molecular mass chemrof:molecular_mass 93.129
Monoisotopic mass chemrof:monoisotopic_mass 93.057849, 93.05785
SMILES string chemrof:smiles_string Cc1ccncc1

Known URLs

20

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=108-89-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32547 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.298 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0803 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021892 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18252 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15544 enrich_references.pubchem_identifier_url
gmelin gmelin:2442 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TJD6V9SSO7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0302405 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.084I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54619 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7963 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2313 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020358 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16159265 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23103469 enrich_references.chebi_xrefs
reaxys reaxys:104586 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2189778 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Methylpyridine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
7c27f203-6cc1-4d28-85fe-9ff3137c557b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b3f4209c-b2ee-44f1-9115-58238c478d35 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
338f5418-3e9d-4677-8c2a-3b4d7e5f77e0 Environmental → Air → Indoor EF 3.1 kg 2
c1d53a1e-9d4d-4ca3-8b84-01cdc777a93b Environmental → Air → Long-term EF 3.1 kg 0
aaf888ed-12e7-492d-b520-c46512385813 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
369a4789-36a8-4a0e-a6a7-7c62d7ba4918 Environmental → Air → Unknown EF 3.1 kg 2
91ccb1aa-7475-4610-91e3-a0b99ff158be Environmental → Ground → Agricultural EF 3.1 kg 2
126f88ad-5665-4147-acdb-47efab4ce9ce Environmental → Ground → Non-agricultural EF 3.1 kg 2
cff3e24d-1cc9-498b-9dea-cb364c3b38bf Environmental → Ground → Unknown EF 3.1 kg 2
6437a23e-87a8-4e5e-841d-ea464f81547c Environmental → Water → Long-term EF 3.1 kg 0
c8feec5c-769e-4049-bb7e-e03f58b421f8 Environmental → Water → Ocean EF 3.1 kg 2
9a461810-8e04-48c7-8f13-7fe0ee6e870b Environmental → Water → Surface water EF 3.1 kg 2
d2f32b8f-67d4-4395-9c38-ed36866b7315 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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    },
    {
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