Brightway Flows 1.0
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4-benzylpyridine

fo-68e44c9bb69e97b6

Identity

Type
Neutral molecule
CAS
2116-65-6
EC
218-319-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-benzylpyridine

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DBOLXXRVIFGDTI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
IUPAC name chemrof:IUPAC_name 4-benzylpyridine
Molecular formula chemrof:molecular_formula C12H11N
Molecular mass chemrof:molecular_mass 169.227
Monoisotopic mass chemrof:monoisotopic_mass 169.089149
SMILES string chemrof:smiles_string c1ccc(Cc2ccncc2)cc1

Known URLs

9

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=2116-65-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.654 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5062188 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8075 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL357322 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1P29GQM0OH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J51.286I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16458 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27252702 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b0b11a87-d865-4b6d-8808-6cbd3ce95c63 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cb864acd-a1db-4816-92e8-b25985c2e2db Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
595f6385-d2d5-47ef-80bf-d0e8ebe06948 Environmental → Air → Indoor EF 3.1 kg 2
2de55ae2-1af8-46c7-9813-748467320c36 Environmental → Air → Long-term EF 3.1 kg 0
f150f4f1-6c70-4713-bd99-56d392e18998 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fde110a4-e096-483c-82e3-89dadda5e74b Environmental → Air → Unknown EF 3.1 kg 2
c4b9fb58-2713-4289-ae12-e2d6d3c9be6d Environmental → Ground → Agricultural EF 3.1 kg 2
4b616a16-acc6-4d8c-8348-b11fc97df6ad Environmental → Ground → Non-agricultural EF 3.1 kg 2
3855ad60-3c4d-45a2-8520-ba6fb663607b Environmental → Ground → Unknown EF 3.1 kg 2
cf038cee-1b0a-4998-b09f-cce87e197097 Environmental → Water → Long-term EF 3.1 kg 0
53a9df2b-3d07-4d99-ad11-4117216d0d8b Environmental → Water → Ocean EF 3.1 kg 2
c25d663f-6986-410c-a435-c844b042ff81 Environmental → Water → Surface water EF 3.1 kg 2
c98da5e1-8834-4ce8-b117-d74ada1351cc 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 
{
  "flow_object_id": "fo-68e44c9bb69e97b6",
  "prefLabel": [
    {
      "@value": "4-benzylpyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-(Phenylmethyl)pyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2116-65-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyridine, 4-(phenylmethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:2116-65-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2116-65-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyridine, 4-benzyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "γ-Benzylpyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "attested_by": {
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        ]
      },
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    }
  },
  "references": [
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  ],
  "created_from": {
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    "seed_uuid": "2de55ae2-1af8-46c7-9813-748467320c36",
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    "semantic_typing": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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