Consensus flow list

Identity

Type
Neutral molecule
CAS
338-83-0
EC
206-420-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Perfluorotripropylamine

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JAJLKEVKNDUJBG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24
IUPAC name chemrof:IUPAC_name Perfluorotripropylamine
Molecular formula chemrof:molecular_formula C9F21N
Molecular mass chemrof:molecular_mass 521.064
Monoisotopic mass chemrof:monoisotopic_mass 520.96954, 520.969542
SMILES string chemrof:smiles_string FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

Known URLs

16

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:1813843 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=338-83-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38850 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.837 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9059834 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB19850 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2101 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2101 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2104877 enrich_references.pubchem_identifier_url
gmelin gmelin:586100 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3T396UK091 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256337 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J191.935K enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C166694 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67645 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27117994 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bf5015f2-3ec8-4225-b7a8-88daebcc3b15 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
a3e5dc1a-14e3-4f9a-839b-5b3e93d62171 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
7481f73c-fe83-40a7-a5b2-44f49869a06b Environmental → Air → Indoor EF 3.1 kg 6
d5cc3657-56ac-4ee6-b502-0e392c6721ce Environmental → Air → Long-term EF 3.1 kg 2
ea3159e2-1083-461e-a6c8-6fbaccabb111 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
f5ceac40-0029-4e0d-93f4-594f996e3340 Environmental → Air → Unknown EF 3.1 kg 6
2935fd41-d32c-4d5f-afcd-554863cd8868 Environmental → Ground → Agricultural EF 3.1 kg 4
ef67aac3-fab1-4818-b7b5-755818c166ad Environmental → Ground → Non-agricultural EF 3.1 kg 4
72f9fd9f-e8ba-4382-9af1-a6f8ed9a8682 Environmental → Ground → Unknown EF 3.1 kg 4
f3851d95-a2c2-4375-93d5-ceb0256d4cf4 Environmental → Water → Long-term EF 3.1 kg 0
283f51e6-604e-4307-89a9-6fd44d176452 Environmental → Water → Ocean EF 3.1 kg 4
4fba5d95-0097-48cf-b7b3-bda8a4d91882 Environmental → Water → Surface water EF 3.1 kg 4
ad77c9ae-d295-4bbe-8e3f-7f41779ac966 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ed8f9c2044a61f8d",
  "prefLabel": [
    {
      "@value": "Perfluorotripropylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:338-83-0",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1,2,2,3,3,3-Heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1-propanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1,2,2,3,3,3-heptafluoro-N,N-bis(heptafluoropropyl)-1-propanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_38850"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,1,2,2,3,3,3-heptafluoro-n,n-bis(heptafluoropropyl)propan-1-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "1-Propanamine, 1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=338-83-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propanamine, 1,1,2,2,3,3,3-heptafluoro-N,N-bis(heptafluoropropyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "F-tripropylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "FTPA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_38850"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "heneicosafluorotripropylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_38850"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "heptafluoro-N,N-bis(heptafluoropropyl)-1-propanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Perfluamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tri (perfluoro n-propyl) amine",
      "@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=338-83-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tri(perfluoropropyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tripropylamine, heneicosafluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris(heptafluoropropyl)amine",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris(perfluoropropyl)amine",
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        ],
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      }
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  ],
  "properties": {
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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        },
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        },
        {
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    },
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      "rdfs:label": "SMILES",
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    },
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      "@value": [
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  },
  "references": [
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