Consensus flow list

Identity

Type
Neutral molecule
CAS
4719-04-4
EC
225-208-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Grotan

Alternative labels

34

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HUHGPYXAVBJSJV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2
IUPAC name chemrof:IUPAC_name 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol
Molecular formula chemrof:molecular_formula C9H21N3O3
Molecular mass chemrof:molecular_mass 219.285
Monoisotopic mass chemrof:monoisotopic_mass 219.158292
SMILES string chemrof:smiles_string OCCN1CN(CCO)CN(CCO)C1

Known URLs

11

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=4719-04-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.916 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7025394 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=516387 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561636 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OU2JEB22IE enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243492 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.219E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/104556 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2810 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27285845 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1f3199a9-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-a173-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b9f02234-7607-49b1-b901-59fe29ac9c55 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-a172-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a174-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-a171-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9d02-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-a178-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9d03-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-a176-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a179-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-a175-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-a177-0050c2490048 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-7d52365360af8397",
  "prefLabel": [
    {
      "@value": "Grotan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazacyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine",
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      "provenance": {
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      }
    },
    {
      "@value": "1,3,5-Tris(2-hydroxyethyl)hexahydro-s-triazine",
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      }
    },
    {
      "@value": "1,3,5-Tris(hydroxyethyl)-S-triazine",
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    },
    {
      "@value": "2,2′,2′′-(Hexahydro-1,3,5-triazine-1,3,5-triyl)triethanol",
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    },
    {
      "@value": "2-[3,5-Bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol",
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      }
    },
    {
      "@value": "Actane",
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      "@value": "Acticide GR",
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    },
    {
      "@value": "Amebact C",
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    },
    {
      "@value": "Bactraclean",
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    },
    {
      "@value": "Bioban GK",
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    },
    {
      "@value": "Biocide BK",
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    },
    {
      "@value": "BK",
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    },
    {
      "@value": "Cobate C",
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    },
    {
      "@value": "Dodigen NJ",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Grotan B",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Grotan BK",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexahydro-1,3,5-tri(2-hydroxyethyl)-s-triazine",
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        ],
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      }
    },
    {
      "@value": "Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine",
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      "provenance": {
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    },
    {
      "@value": "Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydroxyethyl hexahydrotriazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kalpur TE",
      "@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=4719-04-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′,N′′-Tris(2-hydroxyethyl)hexahydro-s-triazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′,N′′-Tris(β-hydroxyethyl)hexahydro-s-triazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nipacide BK",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Permachem OB 2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4719-04-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Polibaccid",
      "@language": "en",
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      "provenance": {
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Protectol HT",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Roksol T 1-7",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "s-Triazine-1,3,5(2H,4H,6H)-triethanol",
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      }
    },
    {
      "@value": "Surcide D",
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    },
    {
      "@value": "Surcide P",
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      }
    },
    {
      "@value": "Triadine 3",
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    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H21N3O3"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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