Consensus flow list

Identity

Type
Neutral molecule
CAS
112-20-9
EC
203-945-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Nonylamine

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FJDUDHYHRVPMJZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3
IUPAC name chemrof:IUPAC_name Nonylamine
Molecular formula chemrof:molecular_formula C9H21N
Molecular mass chemrof:molecular_mass 143.274
Monoisotopic mass chemrof:monoisotopic_mass 143.1674
SMILES string chemrof:smiles_string CCCCCCCCCN

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=112-20-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.587 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021944 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7L7H2HT4OK enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0255712 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.512J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16215 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5649582 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
26b21e14-cc2d-4bad-9f59-8e3b409365ed Environmental → Air → Aircraft cruise height EF 3.1 kg 2
381eab57-b70f-4dd1-bdbc-5da63ba1289c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f517a65c-54e0-4c87-a1cd-92f4b3f0ab33 Environmental → Air → Indoor EF 3.1 kg 2
34c17a16-7291-4663-b2d4-ef240a79e50f Environmental → Air → Long-term EF 3.1 kg 0
6ef021a3-7050-47e4-a2ad-245055a40b65 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b9206c6f-4ccb-469c-ba20-59e87ffa1931 Environmental → Air → Unknown EF 3.1 kg 2
165533cb-0416-4388-ba55-eeffa5ac36fe Environmental → Ground → Agricultural EF 3.1 kg 2
604ff2e3-28d0-4d58-9e57-bd155d1ec8a0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1eb41aa8-43b2-455d-93b4-3af3a1ecad31 Environmental → Ground → Unknown EF 3.1 kg 2
235e700f-00be-4ef4-8852-4dbeb6810df6 Environmental → Water → Long-term EF 3.1 kg 0
a43d072c-9fe3-4fa3-a57e-9a6031a3ebc0 Environmental → Water → Ocean EF 3.1 kg 2
ae38cdef-62b0-44ae-849d-95b00e120bf7 Environmental → Water → Surface water EF 3.1 kg 2
d11431d1-3bac-4698-ac82-d225b112f09b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-8ea8b6687f4c3f43",
  "prefLabel": [
    {
      "@value": "Nonylamine",
      "@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-Aminononane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-20-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-20-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Nonanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-20-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-20-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Nonylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-20-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-20-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monononylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-20-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-20-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Nonylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-20-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H21N"
      ],
      "attested_by": {
        "C9H21N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCN"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCN"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCN"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nonylamine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCN"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCN": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nonylamine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCN"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Nonylamine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Nonylamine"
        ]
      },
      "attested_by": {
        "Nonylamine": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        143.274
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCN"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCN"
          ]
        }
      ],
      "attested_by": {
        "143.274": [
          "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": [
        143.1674
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCN"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCN"
          ]
        }
      ],
      "attested_by": {
        "143.1674": [
          "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=J96.512J",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
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      }
    },
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-20-9]"
      }
    },
    {
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      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
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        "prov:wasDerivedFrom": "cas_numbers"
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    },
    {
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    {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-20-9]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0255712",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
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    {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[112-20-9]"
      }
    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[112-20-9]"
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    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "165533cb-0416-4388-ba55-eeffa5ac36fe",
    "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": {
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        "112-20-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=112-20-9"
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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