Consensus flow list

Identity

Type
Neutral molecule
CAS
2859-67-8
EC
220-675-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-(3-pyridyl)propan-1-ol

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZUGAIMFLQLPTKB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2
IUPAC name chemrof:IUPAC_name 3-(3-pyridyl)propan-1-ol
Molecular formula chemrof:molecular_formula C8H11NO
Molecular mass chemrof:molecular_mass 137.182
Monoisotopic mass chemrof:monoisotopic_mass 137.084064
SMILES string chemrof:smiles_string OCCCc1cccnc1

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=2859-67-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.796 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5022198 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66564 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3229431 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JEX9VDX72H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J51.338E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17861 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72503976 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cb5de237-c837-41f0-848a-0cb93f2355e1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6a49be4f-9ada-4041-9196-eacb929098ed Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ac8da8a5-7b86-43a4-8a6a-72ce90c76be5 Environmental → Air → Indoor EF 3.1 kg 2
cae40fb8-17d3-4215-9f4e-905f49b36e0c Environmental → Air → Long-term EF 3.1 kg 0
a2a922f1-b246-41f9-91d7-017a39b786be Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c874a010-b7e6-42df-8b47-1d6417e2feee Environmental → Air → Unknown EF 3.1 kg 2
fd52ae2d-d7be-46f3-bd69-3eb2b3de7818 Environmental → Ground → Agricultural EF 3.1 kg 2
397973df-dd46-47c3-82c5-e3c4f628cf98 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0da69ba7-a45c-4558-aa27-2f141b6818a4 Environmental → Ground → Unknown EF 3.1 kg 2
97c3b917-7f37-401c-aa0e-4f93ae78baea Environmental → Water → Long-term EF 3.1 kg 0
e67a7624-57e1-4bfa-92cb-4e48eee96bb1 Environmental → Water → Ocean EF 3.1 kg 2
d10e3a4c-5826-4030-875c-bcb4ff3df9b0 Environmental → Water → Surface water EF 3.1 kg 2
99e43abf-4b86-441c-afc4-71f10f9e695b 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-e63cfb290c15e1d9",
  "prefLabel": [
    {
      "@value": "3-(3-pyridyl)propan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-(3-Hydroxypropyl)pyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2859-67-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(3-Pyridinyl)-1-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(3-Pyridyl)-1-propanol",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "3-(3-Pyridyl)propanol",
      "@language": "en",
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      }
    },
    {
      "@value": "3-(Pyridin-3-yl)propanol",
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    {
      "@value": "3-(β-Pyridyl)propanol",
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    },
    {
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}

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