Consensus flow list

4-phenylpyridine

fo-3409325b65595994

Identity

Type
Neutral molecule
CAS
939-23-1
EC
213-357-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-phenylpyridine

Alternative labels

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JVZRCNQLWOELDU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
IUPAC name chemrof:IUPAC_name 4-phenylpyridine
Molecular formula chemrof:molecular_formula C11H9N
Molecular mass chemrof:molecular_mass 155.2
Monoisotopic mass chemrof:monoisotopic_mass 155.073499, 155.0735
SMILES string chemrof:smiles_string c1ccc(-c2ccncc2)cc1

Known URLs

16

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=939-23-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173662 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.143 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.13062.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5022140 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=70375 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77935 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL109074 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/452KD9YCG7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033123 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.971B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11310 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45897 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:5SH enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13651 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27258800 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cac71135-4b3b-4766-97a3-d808b8ea8f43 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e274d37b-86b8-439f-9e85-b5b25381ade0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d25b7481-c9e6-401e-a460-0cd6887a735b Environmental → Air → Indoor EF 3.1 kg 2
2b7dc73a-0fa7-443d-b50b-dce8a08e5eb4 Environmental → Air → Long-term EF 3.1 kg 0
172c6ceb-c7b1-4dc2-8780-c852a06c0dcb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d1946a2b-7726-453d-8b87-522dd7636043 Environmental → Air → Unknown EF 3.1 kg 2
9208c707-9e64-4951-8928-ee795e64e15d Environmental → Ground → Agricultural EF 3.1 kg 2
0e8031bb-d05b-481a-8a00-eafb49a03647 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4151c5b8-7683-4622-a8fe-be656d77ef23 Environmental → Ground → Unknown EF 3.1 kg 2
b81f0d2f-6732-4b74-874f-57cdeb128a71 Environmental → Water → Long-term EF 3.1 kg 0
8437d447-9665-4d1d-b1e7-6f4bd7ede7a9 Environmental → Water → Ocean EF 3.1 kg 2
89471dd8-dcc7-4179-92e7-9e2da5434b04 Environmental → Water → Surface water EF 3.1 kg 2
8bdf0078-ea33-468f-965f-c9b3acc194e4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=939-23-1"
        }
      ],
      "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": [
        "213-357-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=213-357-4"
      ],
      "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"
  ]
}

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