Consensus flow list

2-benzylpyridine

fo-41f6f254043c811c

Identity

Type
Neutral molecule
CAS
101-82-6
EC
202-979-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-benzylpyridine

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PCFUWBOSXMKGIP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
IUPAC name chemrof:IUPAC_name 2-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(Cc2ccccn2)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=101-82-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.709 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5059240 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4033 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3248606 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EW2N4V60MQ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.122D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7581 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27277389 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e9b702ca-eec9-46c9-844e-c300fbe450c8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e2a12fd0-4d06-4191-96f0-a8e2dc0fde2c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4565c4a7-9984-4ddf-8e7f-f85899276bdb Environmental → Air → Indoor EF 3.1 kg 2
8c4e09a3-9436-4a16-9994-e6ecb6b57a41 Environmental → Air → Long-term EF 3.1 kg 0
44f5034a-4790-4b59-a317-3bd62930833e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d39a09b1-6233-49a8-ad55-087fbb551569 Environmental → Air → Unknown EF 3.1 kg 2
59de2faf-a825-4bc9-9888-2db32911fb4a Environmental → Ground → Agricultural EF 3.1 kg 2
4ce30b7c-d156-425c-8113-44deafded031 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2ae0c1c7-48cc-4907-b18e-36910f3bea10 Environmental → Ground → Unknown EF 3.1 kg 2
edb4153c-6b23-47b7-b33b-9402bc52d761 Environmental → Water → Long-term EF 3.1 kg 0
50985b75-e600-42fd-bd18-fd49c4278481 Environmental → Water → Ocean EF 3.1 kg 2
6faac466-68f5-4b40-8ce1-12046ec7b2f1 Environmental → Water → Surface water EF 3.1 kg 2
64d4ec60-564a-4192-b758-b118ad3a4f22 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-41f6f254043c811c",
  "prefLabel": [
    {
      "@value": "2-benzylpyridine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "2-(Phenylmethyl)pyridine",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Pyridine, 2-(phenylmethyl)-",
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    },
    {
      "@value": "Pyridine, 2-benzyl-",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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