Consensus flow list

Identity

Type
Neutral molecule
CAS
1860-26-0
EC
217-461-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-ethyl-n,n-bis(2-ethylhexyl)hexan-1-amine

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BZUDVELGTZDOIG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
IUPAC name chemrof:IUPAC_name 1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-
Molecular formula chemrof:molecular_formula C24H51N
Molecular mass chemrof:molecular_mass 353.679
Monoisotopic mass chemrof:monoisotopic_mass 353.402151
SMILES string chemrof:smiles_string CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC

Known URLs

7

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1860-26-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.874 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40862765 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OS816H2S39 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J199.675D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/102705 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27285809 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
73aa7194-31b6-43ff-b3d4-18cab454a84f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
da2023d0-0711-4b96-91c8-2adfb50effd2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
514bcf06-e551-4507-96eb-58db66208a1b Environmental → Air → Indoor EF 3.1 kg 4
db16804e-98f7-4671-8a27-c4719d925206 Environmental → Air → Long-term EF 3.1 kg 0
6f1b3a74-9b8a-47ee-92c4-010f8170824b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
03e04626-a3ed-4a31-a18a-8c19c500030f Environmental → Air → Unknown EF 3.1 kg 4
0ad68bce-ce7d-40a1-9ce0-fa36a162d91b Environmental → Ground → Agricultural EF 3.1 kg 4
74265a6f-7435-4546-b0a3-53f1d21a98d2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e6b7f7bd-246e-47f5-b3e0-eb65131bffae Environmental → Ground → Unknown EF 3.1 kg 4
f8086624-f429-405a-9891-411eb7426a1a Environmental → Water → Long-term EF 3.1 kg 0
0c836f9f-87f9-400b-8095-aac0fb862222 Environmental → Water → Ocean EF 3.1 kg 4
cd219d9a-cb1e-46f3-908b-2c09bd7579c8 Environmental → Water → Surface water EF 3.1 kg 4
65d589a1-8681-49f8-ae4d-e6b284330d89 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-71f5af67ae52c572",
  "prefLabel": [
    {
      "@value": "2-ethyl-n,n-bis(2-ethylhexyl)hexan-1-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1860-26-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Ethyl-N,N-bis(2-ethylhexyl)-1-hexanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1860-26-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TEHA",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tri(2-ethylhexyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trihexylamine, 2,2′,2′′-triethyl-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris(2-ethylhexyl)amine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    }
  ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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        "1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-"
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    "https://w3id.org/chemrof/molecular_mass": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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        ]
      },
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  },
  "references": [
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}

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