Consensus flow list

Identity

Type
NeutralMolecule
CAS
5766-67-6
EC
227-290-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetonitrile

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FDWRKVKXYZRYOD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2
IUPAC name chemrof:IUPAC_name 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetonitrile
Molecular formula chemrof:molecular_formula C10H12N6
Molecular mass chemrof:molecular_mass 216.248
Monoisotopic mass chemrof:monoisotopic_mass 216.112344
SMILES string chemrof:smiles_string N#CCN(CC#N)CCN(CC#N)CC#N

Known URLs

10

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=5766-67-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.024.810 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9027603 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=49104 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183325 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P31690404G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.815G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21984 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=166509 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27286054 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b6dc3ec4-8ff5-464d-bbc9-77bbd0af0c64 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
151852d9-e40e-49ab-a670-634f4b6837da Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c76bf711-5502-4e9a-858e-70729c990a0b Environmental → Air → Indoor EF 3.1 kg 2
6ff36dfe-019f-48a3-9302-9f41d1c82cfc Environmental → Air → Long-term EF 3.1 kg 0
16ebd38e-3c40-4ed7-a8db-6b83b55b26f4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c9b01341-9c8c-4087-8839-885218c05f01 Environmental → Air → Unknown EF 3.1 kg 2
5d20e63e-626a-4e9e-82e8-f975572a5b06 Environmental → Ground → Agricultural EF 3.1 kg 2
8ae47f9b-18bd-4f99-a81e-a2db5acfd7a3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6ab20179-0c7e-4d54-b0eb-b8accdb83d9b Environmental → Ground → Unknown EF 3.1 kg 2
02617103-7999-4e81-ba15-73037b06defb Environmental → Water → Long-term EF 3.1 kg 0
7869c523-ca6a-48f5-87f8-cecb65d29da3 Environmental → Water → Ocean EF 3.1 kg 2
7a4a8f5f-01ff-4249-b9ba-9681bec0bbb9 Environmental → Water → Surface water EF 3.1 kg 2
8eb63ee3-c9dc-489a-babf-23124b226f43 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-12c6aa49e93bb1a5",
  "prefLabel": [
    {
      "@value": "2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetonitrile",
      "@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": "(Ethylenedinitrilo)tetraacetonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5766-67-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5766-67-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′,2′′,2′′′-(1,2-Ethanediyldinitrilo)tetrakis[acetonitrile]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5766-67-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5766-67-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetonitrile, (ethylenedinitrilo)tetra-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5766-67-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5766-67-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetonitrile, 2,2′,2′′,2′′′-(1,2-ethanediyldinitrilo)tetrakis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5766-67-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5766-67-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "EDTN",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5766-67-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5766-67-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylenediaminetetraacetonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5766-67-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5766-67-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N,N′,N′-Tetracyanomethylethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5766-67-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5766-67-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H12N6"
      ],
      "attested_by": {
        "C10H12N6": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:21984"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#CCN(CC#N)CCN(CC#N)CC#N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FDWRKVKXYZRYOD-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "FDWRKVKXYZRYOD-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:21984"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#CCN(CC#N)CCN(CC#N)CC#N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "N#CCN(CC#N)CCN(CC#N)CC#N"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetonitrile"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#CCN(CC#N)CCN(CC#N)CC#N"
          ]
        }
      ],
      "attested_by": {
        "N#CCN(CC#N)CCN(CC#N)CC#N": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetonitrile"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#CCN(CC#N)CCN(CC#N)CC#N"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetonitrile"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetonitrile"
        ]
      },
      "attested_by": {
        "2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetonitrile": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        216.248
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CN(CC#N)CC#N)N(CC#N)CC#N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#CCN(CC#N)CCN(CC#N)CC#N"
          ]
        }
      ],
      "attested_by": {
        "216.248": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        216.112344
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CN(CC#N)CC#N)N(CC#N)CC#N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#CCN(CC#N)CCN(CC#N)CC#N"
          ]
        }
      ],
      "attested_by": {
        "216.112344": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.815G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21984;CAS:5766-67-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5766-67-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.024.810",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21984;CAS:5766-67-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5766-67-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5766-67-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21984;CAS:5766-67-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5766-67-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9027603",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21984;CAS:5766-67-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5766-67-6]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=49104",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21984;CAS:5766-67-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5766-67-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P31690404G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21984;CAS:5766-67-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5766-67-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/21984",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21984;CAS:5766-67-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5766-67-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=166509",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21984;CAS:5766-67-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5766-67-6]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183325",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21984;CAS:5766-67-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5766-67-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27286054",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21984;CAS:5766-67-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5766-67-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "02617103-7999-4e81-ba15-73037b06defb",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "5766-67-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5766-67-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=5766-67-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "227-290-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=227-290-3"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.