Consensus flow list

Identity

Type
Neutral molecule
CAS
111-40-0
EC
203-865-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Diethylenetriamine

Alternative labels

30

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RPNUMPOLZDHAAY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
IUPAC name chemrof:IUPAC_name Diethylenetriamine
Molecular formula chemrof:molecular_formula C4H13N3
Molecular mass chemrof:molecular_mass 103.169
Monoisotopic mass chemrof:monoisotopic_mass 103.110947, 103.11095
SMILES string chemrof:smiles_string NCCNCCN

Known URLs

21

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:605314 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=111-40-0 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/IE12B128.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30629 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.515 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.116.843 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0620 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2025050 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=446 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL303429 enrich_references.pubchem_identifier_url
gmelin gmelin:2392 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/03K6SX4V2J enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031413 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2921.29.00.30 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.108J enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44863 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8111 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2079 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=507830 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q416728 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Diethylenetriamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ab91057f-1095-4702-af07-2edb79428119 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
427a86c3-7207-4f63-b0e0-e86177bb5492 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1f3b4692-d4e2-47ad-939a-f0f599e4cbac Environmental → Air → Indoor EF 3.1 kg 4
68d745b5-6509-4ba0-8e16-a04dcf610c8d Environmental → Air → Long-term EF 3.1 kg 0
f8c7b95d-ee75-4155-b1b4-cca34a9fd2c0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
556e6d01-70c9-4da1-b6eb-6eb2857d681e Environmental → Air → Unknown EF 3.1 kg 4
2534f73e-6696-4124-b2be-40f4e73c25a7 Environmental → Ground → Agricultural EF 3.1 kg 4
543ba58b-0cd6-4b4f-9b12-226c70f1d40f Environmental → Ground → Non-agricultural EF 3.1 kg 4
ece99da5-7e3d-4c45-b858-fa01683c5ece Environmental → Ground → Unknown EF 3.1 kg 4
0686d85d-c824-4f83-b505-f7b0d8d096fd Environmental → Water → Long-term EF 3.1 kg 0
b1546f33-825c-4e33-840e-cac6eff6355e Environmental → Water → Ocean EF 3.1 kg 4
87944611-1331-4898-994a-9195dc11c73d Environmental → Water → Surface water EF 3.1 kg 4
16199bdf-3887-4814-8f6c-0cc7610e6019 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f35466157b75ec62",
  "prefLabel": [
    {
      "@value": "Diethylenetriamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "CAS:111-40-0",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Ethanediamine, N-(2-aminoethyl)-",
      "@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=111-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Ethanediamine, N1-(2-aminoethyl)-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4,7-Triazaheptane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,5-Diamino-3-azapentane",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "2,2'-iminodi(ethylamine)",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2,2′-Diaminodiethylamine",
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      "provenance": {
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      }
    },
    {
      "@value": "2,2′-Iminobis(ethanamine)",
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      }
    },
    {
      "@value": "2-(2-Aminoethylamino)ethylamine",
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        ],
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      }
    },
    {
      "@value": "3-Azapentane-1,5-diamine",
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      }
    },
    {
      "@value": "3-Azapentanediyl-1,5-diamine",
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      }
    },
    {
      "@value": "Amosil 4H",
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      }
    },
    {
      "@value": "Ancamine DETA",
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      }
    },
    {
      "@value": "Aradur HY 950BR",
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      }
    },
    {
      "@value": "Bis(2-aminoethyl)amine",
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      }
    },
    {
      "@value": "Bis(β-aminoethyl)amine",
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      }
    },
    {
      "@value": "ChS Hardener P 11",
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    },
    {
      "@value": "ChS-P 1",
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    },
    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "dien",
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    },
    {
      "@value": "Epicure T",
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    },
    {
      "@value": "FS-B 412",
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      }
    },
    {
      "@value": "JER Cure T",
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      "provenance": {
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    {
      "@value": "JER-T",
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    },
    {
      "@value": "N,N-Bis(2-aminoethyl)amine",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2-Aminoethyl)-1,2-ethanediamine",
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      "provenance": {
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    },
    {
      "@value": "N-(2-aminoethyl)ethane-1,2-diamine",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(2-Aminoethyl)ethylenediamine",
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      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "N1-(2-Aminoethyl)-1,2-ethanediamine",
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      "provenance": {
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    },
    {
      "@value": "N1-(2-Aminoethyl)ethane-1,2-diamine",
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    },
    {
      "@value": "NCI 138881",
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  ],
  "properties": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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