Consensus flow list

Identity

Type
Neutral molecule
CAS
103-74-2
EC
203-140-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-(2-pyridyl)ethanol

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BXGYBSJAZFGIPX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
IUPAC name chemrof:IUPAC_name 2-(2-pyridyl)ethanol
Molecular formula chemrof:molecular_formula C7H9NO
Molecular mass chemrof:molecular_mass 123.155
Monoisotopic mass chemrof:monoisotopic_mass 123.068414
SMILES string chemrof:smiles_string OCCc1ccccn1

Known URLs

12

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=103-74-2 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:230061 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.855 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2044767 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2144 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77979 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186451 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4G94J9B8JR enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J28.225A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7675 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020381 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27259559 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a670d4e8-e505-4b89-b9bf-0f21dee80ac5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ca811c10-e854-4f35-8092-0fad4e5e12f6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5fd8ce6e-6588-45ea-b67e-2f82a22b85fd Environmental → Air → Indoor EF 3.1 kg 2
9c869e4c-7d4a-41ab-b5a6-f26ed982d579 Environmental → Air → Long-term EF 3.1 kg 0
8bd55c92-c344-437e-9da6-728640b58e94 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
70541857-2eb9-44b3-aac8-23f148b81e3b Environmental → Air → Unknown EF 3.1 kg 2
f608170f-5beb-471b-bea9-0b3674c497f9 Environmental → Ground → Agricultural EF 3.1 kg 2
c4c3a2d3-17da-4ed4-ad46-8227c925ef36 Environmental → Ground → Non-agricultural EF 3.1 kg 2
394170aa-4a8b-483d-bb21-33b778e254f0 Environmental → Ground → Unknown EF 3.1 kg 2
3332bcc9-a062-4747-94d4-5e1e0c37ed9e Environmental → Water → Long-term EF 3.1 kg 0
9a898549-5ab1-4356-b16d-c9847e34952b Environmental → Water → Ocean EF 3.1 kg 2
e6dff01d-76b5-4dd0-a4bc-9a04c2f1b59d Environmental → Water → Surface water EF 3.1 kg 2
94ea3a3e-afff-4a83-9fa1-1223a8a98782 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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  "altLabel": [
    {
      "@value": "2-(2-Hydroxyethyl)pyridine",
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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