Consensus flow list

Identity

Type
NeutralMolecule
CAS
91273-04-0
EC
401-280-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-(n,n-bis(2-ethylhexyl)aminomethyl)-1,2,4-triazole

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AVBBHCMDRGQBNW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H38N4/c1-5-9-11-18(7-3)13-22(17-23-16-20-15-21-23)14-19(8-4)12-10-6-2/h15-16,18-19H,5-14,17H2,1-4H3
IUPAC name chemrof:IUPAC_name 1H-1,2,4-Triazole-1-methanamine, N,N-bis(2-ethylhexyl)-
Molecular formula chemrof:molecular_formula C19H38N4
Molecular mass chemrof:molecular_mass 322.541
Monoisotopic mass chemrof:monoisotopic_mass 322.309647
SMILES string chemrof:smiles_string CCCCC(CC)CN(CC(CC)CCCC)Cn1cncn1

Known URLs

8

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=91273-04-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.322 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.109.456 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40869077 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NM78SNH3G3 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J94.824A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/163595 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27284953 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2ce0becc-14ff-4513-a9ad-d6a705353da8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
19833b91-fdbb-4bbd-87bb-977661be52f0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
86f0369b-0df1-41a1-badb-e4485a33b0bd Environmental → Air → Indoor EF 3.1 kg 4
c48ffbde-cbf7-4842-8ce0-b9c48ff8a33a Environmental → Air → Long-term EF 3.1 kg 0
08f8bf48-1a24-44cf-98fe-d90382018f48 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
96a16e29-9fdc-4cb2-9247-39bfdff20de7 Environmental → Air → Unknown EF 3.1 kg 4
4321b4f8-f238-4441-a0ab-daeef7deb3df Environmental → Ground → Agricultural EF 3.1 kg 4
c841fb5c-a0e1-4025-8316-9a4f8f2d7c36 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8f9c39c0-6bc4-4a96-b622-7cb532f4dc1b Environmental → Ground → Unknown EF 3.1 kg 4
5b5db6f0-fd0e-4e23-9d69-022fc92ee34f Environmental → Water → Long-term EF 3.1 kg 0
603b7a13-d4e3-4385-95b5-ce4dd664b623 Environmental → Water → Ocean EF 3.1 kg 4
69a922b2-5caa-44ed-8e80-23bbd1025f45 Environmental → Water → Surface water EF 3.1 kg 4
f3e74a1e-a750-40d7-b4bc-a009a99e93c3 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-d6c3c02a6b5b5f95",
  "prefLabel": [
    {
      "@value": "1-(n,n-bis(2-ethylhexyl)aminomethyl)-1,2,4-triazole",
      "@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": "1H-1,2,4-Triazole-1-methanamine, N,N-bis(2-ethylhexyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgamet 30",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Bis(2-ethylhexyl)-1,2,4-triazol-1-ylmethanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Bis(2-ethylhexyl)-1H-1,2,4-triazole-1-methanamine",
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    },
    {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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}

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