Consensus flow list

Identity

Type
Neutral molecule
CAS
112-57-2
EC
203-986-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Tetraethylenepentamine

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FAGUFWYHJQFNRV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
IUPAC name chemrof:IUPAC_name Tetraethylenepentamine
Molecular formula chemrof:molecular_formula C8H23N5
Molecular mass chemrof:molecular_mass 189.307
Monoisotopic mass chemrof:monoisotopic_mass 189.195346, 189.19535
SMILES string chemrof:smiles_string NCCNCCNCCNCCN

Known URLs

22

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:506966 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=112-57-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49798 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.624 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.108.433 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.208.076 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1718 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7026108 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=88603 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL138297 enrich_references.pubchem_identifier_url
gmelin gmelin:51196 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YZD1C9KQ28 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032465 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2921.29.00.10 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.129B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14690 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14690 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5530 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8197 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2320 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q15974770 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tetraethylenepentamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
609dac35-3968-4a17-a8ee-62ae547accab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6cabc291-45d3-482c-bd88-19b190d89628 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7dfde9e9-e8e7-42e6-a1d4-5d524fb63699 Environmental → Air → Indoor EF 3.1 kg 2
186de4a8-2e54-4565-aa1c-68c4836ba353 Environmental → Air → Long-term EF 3.1 kg 0
a7758323-7bc6-4ccc-af04-bff4a0672aa1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ace0d81d-3053-4ace-89e2-dc28085f0900 Environmental → Air → Unknown EF 3.1 kg 2
fc74f2bc-77ac-4731-86ca-2d126ac4dbbb Environmental → Ground → Agricultural EF 3.1 kg 2
cd1ff51a-16f0-4a18-ab1c-a819039242e2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0cf8a5f8-dd21-4fb7-97db-314d7f0d1076 Environmental → Ground → Unknown EF 3.1 kg 2
a6ff6c5e-c320-4197-94ef-38ed54c6bf75 Environmental → Water → Long-term EF 3.1 kg 0
bc922eb1-2b2a-4970-b291-9215450bfd85 Environmental → Water → Ocean EF 3.1 kg 2
a333ff0a-8ae0-492c-9024-e4bf6c508ed4 Environmental → Water → Surface water EF 3.1 kg 2
23a3d47b-a5b3-4edc-91ee-3d6b052cbe36 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-efb5cedffcfacaab",
  "prefLabel": [
    {
      "@value": "Tetraethylenepentamine",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,11-Diamino-3,6,9-triazaundecane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_49798"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,2-Ethanediamine, N-(2-aminoethyl)-N′-[2-[(2-aminoethyl)amino]ethyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Ethanediamine, N1-(2-aminoethyl)-N2-[2-[(2-aminoethyl)amino]ethyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4,7,10,13-pentaazatridecane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,6,9-Triaza-1,11-diaminoundecane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,6,9-triazaundecamethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
      "@value": "3,6,9-triazaundecane-1,11-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "AFR-AN 6",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ancamine TEPA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis[2-(2-aminoethylamino)ethyl]amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=112-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Epikure Curing Agent 927",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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    },
    {
      "@value": "Insulcure 9",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]-1,2-ethanediamine",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(2-Aminoethyl)-N′-(2-((2-aminoethyl)amino)ethyl)-1,2-ethanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N1-(2-Aminoethyl)-N2-[2-[(2-aminoethyl)amino]ethyl]-1,2-ethanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TEPA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tetraethylene pentaamine",
      "@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=112-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetraethylenpentamin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tetraethylpentylamine",
      "@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=112-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tetren",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
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