Consensus flow list

Identity

Type
Neutral molecule
CAS
3978-81-2
EC
223-614-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-tert-butylpyridine

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YSHMQTRICHYLGF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
IUPAC name chemrof:IUPAC_name 4-tert-butylpyridine
Molecular formula chemrof:molecular_formula C9H13N
Molecular mass chemrof:molecular_mass 135.21
Monoisotopic mass chemrof:monoisotopic_mass 135.104799
SMILES string chemrof:smiles_string CC(C)(C)c1ccncc1

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=3978-81-2 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:195158 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.469 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20192855 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5104 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IL8V02163I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J124.330F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/19878 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q10846092 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9b0706cf-a9c6-47ef-94c3-eee3d3547d7f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ff1c6ddf-04a4-49bd-a5e2-65d9550f4017 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
aeb1ee07-7510-48fb-aaff-3ac06161cbfd Environmental → Air → Indoor EF 3.1 kg 2
411c10d5-975a-435d-a9eb-1a91cd453f08 Environmental → Air → Long-term EF 3.1 kg 0
69f86d9b-a719-4962-9fcb-34f006debacf Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ee055c2a-dda4-4d34-ba71-9e0b9794a60a Environmental → Air → Unknown EF 3.1 kg 2
9c08c52b-6ce1-4f21-98c2-b9804095e948 Environmental → Ground → Agricultural EF 3.1 kg 2
7b2365bd-4443-4976-a042-b8089fc00ced Environmental → Ground → Non-agricultural EF 3.1 kg 2
6cee7f76-cba2-4733-a9c3-0850975a1489 Environmental → Ground → Unknown EF 3.1 kg 2
19bf66a1-cd45-4f5e-8fd5-415ebf7c1634 Environmental → Water → Long-term EF 3.1 kg 0
99a162b9-bb86-46bc-8d03-7909d3f2686a Environmental → Water → Ocean EF 3.1 kg 2
2f80c7ac-e616-46f0-b3c9-14275148854c Environmental → Water → Surface water EF 3.1 kg 2
7a59c99a-b2ac-4db9-9c86-dd421df05a42 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-e4c3e06c2654a6f2",
  "prefLabel": [
    {
      "@value": "4-tert-butylpyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-(1,1-Dimethylethyl)pyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=3978-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-t-Butylpyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=3978-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-tert-Butylpyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyridine, 4-(1,1-dimethylethyl)-",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Pyridine, 4-tert-butyl-",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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