Consensus flow list

Identity

Type
Neutral molecule
CAS
102-82-9
EC
203-058-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tributylamine

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IMFACGCPASFAPR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
IUPAC name chemrof:IUPAC_name Tributylamine
Molecular formula chemrof:molecular_formula C12H27N
Molecular mass chemrof:molecular_mass 185.355
Monoisotopic mass chemrof:monoisotopic_mass 185.21435
SMILES string chemrof:smiles_string CCCCN(CCCC)CCCC

Known URLs

15

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
beilstein beilstein:1698872 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=102-82-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38905 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.781 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1048 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4026183 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1877658 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C3TZB2W0R7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259165 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.156C enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56068 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7622 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2542 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q905558 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tributylamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9ec57eed-0fcf-4fe8-b901-9c2bdc7817e4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c5c131d9-1d6b-4625-9bf2-ccea50ea18fc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7e08e864-67dd-428c-a535-6a1cbb612755 Environmental → Air → Indoor EF 3.1 kg 4
5750810e-1718-4f4d-adbb-ef31c1e7a449 Environmental → Air → Long-term EF 3.1 kg 0
2da42689-c5e4-4a6c-9b4a-3fbe20686f94 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a8f92478-e44e-4994-aa16-51022e85d057 Environmental → Air → Unknown EF 3.1 kg 4
32827d52-5ed9-4d5e-b0cb-e945f95db54b Environmental → Ground → Agricultural EF 3.1 kg 4
ba197179-212c-4eeb-9555-e8d8e84bc06e Environmental → Ground → Non-agricultural EF 3.1 kg 4
1791ea13-4239-4e77-a4db-dfd5a04d71a9 Environmental → Ground → Unknown EF 3.1 kg 4
79029ca3-78bd-4a9a-bac8-1da1498d3be4 Environmental → Water → Long-term EF 3.1 kg 0
9098cac6-5d35-4b3b-b521-04e8160dae27 Environmental → Water → Ocean EF 3.1 kg 4
39269750-8dde-4175-95b1-e772922fd2fe Environmental → Water → Surface water EF 3.1 kg 4
d66a9489-23c0-411b-8fec-ef91378b2b36 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=102-82-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "203-058-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=203-058-7"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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