Consensus flow list

Identity

Type
Neutral molecule
CAS
56358-17-9
EC
260-126-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(2-ethylhexyl)naphthalen-2-amine

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PEIBVKBWHHZYQC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H25N/c1-3-5-8-15(4-2)14-19-18-12-11-16-9-6-7-10-17(16)13-18/h6-7,9-13,15,19H,3-5,8,14H2,1-2H3
IUPAC name chemrof:IUPAC_name N-(2-ethylhexyl)naphthalen-2-amine
Molecular formula chemrof:molecular_formula C18H25N
Molecular mass chemrof:molecular_mass 255.405
Monoisotopic mass chemrof:monoisotopic_mass 255.1987
SMILES string chemrof:smiles_string CCCCC(CC)CNc1ccc2ccccc2c1

Known URLs

6

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=56358-17-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.054.643 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10971792 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J296.646H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91816 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82955388 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e353e8de-adce-47d6-9a83-fc5aacff8595 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
81668ad7-395d-4439-b1d1-96a58486389d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
765c7ac8-31f0-4200-b7ac-d29ad0d3e40c Environmental → Air → Indoor EF 3.1 kg 2
2fd10080-3967-43e3-b533-d308309597d3 Environmental → Air → Long-term EF 3.1 kg 0
69105d3d-6aba-4077-80ca-62270b89b7d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
33999827-ac70-4162-ba85-d34d6d5f893c Environmental → Air → Unknown EF 3.1 kg 2
c426de72-f505-4577-82d3-9499466b94d4 Environmental → Ground → Agricultural EF 3.1 kg 2
d275cb11-8cd3-41b9-83ba-954474bb1e62 Environmental → Ground → Non-agricultural EF 3.1 kg 2
66306d5f-0964-4099-85e5-42be0737d0c8 Environmental → Ground → Unknown EF 3.1 kg 2
53d07887-5847-4192-8106-ae7a33b567c8 Environmental → Water → Long-term EF 3.1 kg 0
50ecacf8-4ff7-4e74-a342-1afcb939e7e9 Environmental → Water → Ocean EF 3.1 kg 2
80211539-2710-496f-86e4-98b14fc49a2c Environmental → Water → Surface water EF 3.1 kg 2
98ce3901-3344-422e-b31b-febc2f882a6c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-76d1e3b55560fe58",
  "prefLabel": [
    {
      "@value": "N-(2-ethylhexyl)naphthalen-2-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": "2-Naphthalenamine, N-(2-ethylhexyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56358-17-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56358-17-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2-Ethylhexyl)-2-naphthalenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56358-17-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56358-17-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2-Ethylhexyl)-2-naphthylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56358-17-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56358-17-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H25N"
      ],
      "attested_by": {
        "C18H25N": [
          "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:91816"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CC)CNc1ccc2ccccc2c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PEIBVKBWHHZYQC-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "PEIBVKBWHHZYQC-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:91816"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CC)CNc1ccc2ccccc2c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCC(CC)CNc1ccc2ccccc2c1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-(2-ethylhexyl)naphthalen-2-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CC)CNc1ccc2ccccc2c1"
          ]
        }
      ],
      "attested_by": {
        "CCCCC(CC)CNc1ccc2ccccc2c1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C18H25N/c1-3-5-8-15(4-2)14-19-18-12-11-16-9-6-7-10-17(16)13-18/h6-7,9-13,15,19H,3-5,8,14H2,1-2H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-(2-ethylhexyl)naphthalen-2-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CC)CNc1ccc2ccccc2c1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C18H25N/c1-3-5-8-15(4-2)14-19-18-12-11-16-9-6-7-10-17(16)13-18/h6-7,9-13,15,19H,3-5,8,14H2,1-2H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "N-(2-ethylhexyl)naphthalen-2-amine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "N-(2-ethylhexyl)naphthalen-2-amine"
        ]
      },
      "attested_by": {
        "N-(2-ethylhexyl)naphthalen-2-amine": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        255.405
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CC)CNC1=CC2=CC=CC=C2C=C1"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CC)CNc1ccc2ccccc2c1"
          ]
        }
      ],
      "attested_by": {
        "255.405": [
          "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": [
        255.1987
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CC)CNC1=CC2=CC=CC=C2C=C1"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CC)CNc1ccc2ccccc2c1"
          ]
        }
      ],
      "attested_by": {
        "255.1987": [
          "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=J296.646H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:91816;CAS:56358-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56358-17-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.054.643",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:91816;CAS:56358-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56358-17-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=56358-17-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:91816;CAS:56358-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56358-17-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID10971792",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:91816;CAS:56358-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56358-17-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/91816",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:91816;CAS:56358-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[56358-17-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82955388",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:91816;CAS:56358-17-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56358-17-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2fd10080-3967-43e3-b533-d308309597d3",
    "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": [
        "56358-17-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=56358-17-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=56358-17-9"
        }
      ],
      "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": [
        "260-126-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=260-126-9"
      ],
      "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.