Consensus flow list

Identity

Type
Neutral molecule
CAS
10563-26-5
EC
234-147-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for N~1~',n~3~-ethane-1,2-diyldipropane-1,3-diamine

Alternative labels

30

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RXFCIXRFAJRBSG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2
IUPAC name chemrof:IUPAC_name 1,5,8,12-tetraazadodecane
Molecular formula chemrof:molecular_formula C8H22N4
Molecular mass chemrof:molecular_mass 174.292
Monoisotopic mass chemrof:monoisotopic_mass 174.184447, 174.18445
SMILES string chemrof:smiles_string NCCCNCCNCCCN

Known URLs

14

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:2203748 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=10563-26-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39476 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.031.031 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2065127 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=180823 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL259148 enrich_references.pubchem_identifier_url
gmelin gmelin:50630 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0EXW8894XX enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J226.991K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56320 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/25378 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=127741 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27120355 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4c36eb78-11d5-42e7-9f2e-affdd8325640 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
56cf0e51-d6c3-48ca-a446-bb7614136dcd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b68d5554-059a-41f9-825b-7281f0dd2315 Environmental → Air → Indoor EF 3.1 kg 4
2d442967-0f03-4bb5-9f1d-b7af0d92cade Environmental → Air → Long-term EF 3.1 kg 0
ec063681-7dc1-4c09-ae6c-73982f993cba Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5ebf99b8-f3b2-4b1e-a693-cc0f43a0de6c Environmental → Air → Unknown EF 3.1 kg 4
fced939e-bb0e-4fb6-b33c-6ac37d8e6a8e Environmental → Ground → Agricultural EF 3.1 kg 4
5dd64ab6-3b45-4034-8f79-340b28bc4489 Environmental → Ground → Non-agricultural EF 3.1 kg 4
54dcff31-1c0e-4265-97d3-04586e2a3d0c Environmental → Ground → Unknown EF 3.1 kg 4
2839398d-3c51-4005-9e34-0871640b49c6 Environmental → Water → Long-term EF 3.1 kg 0
95cbe272-7ad0-4208-9f5e-2874caf8c456 Environmental → Water → Ocean EF 3.1 kg 4
0c4a6980-78e3-46d9-8933-20954e44c654 Environmental → Water → Surface water EF 3.1 kg 4
e85bb735-f658-43c4-8c28-7e5bcd57c8fc 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
{
  "flow_object_id": "fo-f73750000e4fd6dc",
  "prefLabel": [
    {
      "@value": "N~1~',n~3~-ethane-1,2-diyldipropane-1,3-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,10-Diamino-4,7-diazadecane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Bis(3-aminopropyl)ethylenediamine",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Bis(3-aminopropylamino)ethane",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediamine, N,N′′-1,2-ethanediylbis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediamine, N,N′′-ethylenebis-",
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      "provenance": {
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      }
    },
    {
      "@value": "1,3-Propanediamine, N1,N1′-1,2-ethanediylbis-",
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      }
    },
    {
      "@value": "1,5,8,12-tetraazadodecane",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,2,3-Tet",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,7-Diazadecane-1,10-diamine",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BAPEN",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(3-aminopropyl)ethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N(1'),N(3)-ethane-1,2-diyldipropane-1,3-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N''-1,2-ethanediylbis-1,3-propanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N''-ethylenebis-1,3-propanediamine",
      "@language": "en",
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      }
    },
    {
      "@value": "N,N'-bis(3-aminopropyl)-1,2-diaminoethane",
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      }
    },
    {
      "@value": "N,N'-bis(3-aminopropyl)ethylenediamine",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N'-bis(gamma-aminopropyl)diaminoethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N'-di(3-aminopropyl)-1,2-ethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N-1,2-Ethanediylbis-1,3-propanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-Bis(3-aminopropyl)-1,2-diaminoethane",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-Bis(3-aminopropyl)-1,2-ethanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-Bis(3-aminopropyl)diaminoethane",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-Bis(3-aminopropyl)ethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10563-26-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-Di(3-aminopropyl)-1,2-ethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10563-26-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-Diaminopropylethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=10563-26-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-Ethane-1,2-diylbis(1,3-propanediamine)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
          "CAS:10563-26-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10563-26-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′′-1,2-Ethanediylbis(1,3-propandiamine)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10563-26-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-[2-(3-Aminopropylamino)ethyl]-1,3-propanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
          "CAS:10563-26-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10563-26-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N4 Amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10563-26-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rhodoline Hd-N 4",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  ],
  "properties": {
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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