Consensus flow list

Identity

Type
Molecular complex
CAS
2123-24-2
EC
218-336-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Hexahydro-2h-azepin-2-one, Sodium Salt

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DUQXROGNHFUZBI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H11NO.Na/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);
IUPAC name chemrof:IUPAC_name Hexahydro-2h-azepin-2-one, Sodium Salt
Molecular formula chemrof:molecular_formula C6H11NNaO
Molecular mass chemrof:molecular_mass 136.15
Monoisotopic mass chemrof:monoisotopic_mass 136.073833
SMILES string chemrof:smiles_string O=C1CCCCCN1.[Na]

Known URLs

2

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=2123-24-2 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66939306 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
2a5c884f-7e9e-467d-8b9d-e074e8bbb86d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e7e3a959-7cba-4b56-9c80-bc68ef7ac8e3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
31f68a78-36d1-4327-8ab6-64dbd92115da Environmental → Air → Indoor EF 3.1 kg 4
b521c77e-44a2-4aeb-9008-01d26f5962b9 Environmental → Air → Long-term EF 3.1 kg 0
bddb30dd-2186-4859-b796-c39bb4dfa3cb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
bba5bac8-09ad-43da-9ac3-7ae126ba914d Environmental → Air → Unknown EF 3.1 kg 4
3223e15f-d6a7-42cc-834b-20bd67faeb00 Environmental → Ground → Agricultural EF 3.1 kg 4
58a87d18-eb9e-4e63-b967-c0eed6da20bc Environmental → Ground → Non-agricultural EF 3.1 kg 4
3b0d10f8-d192-4643-870e-0b2e0fc3d8b3 Environmental → Ground → Unknown EF 3.1 kg 4
6ea6c408-4eca-4d77-82e2-0a6f842fd971 Environmental → Water → Long-term EF 3.1 kg 0
76a177f1-5fc3-44c5-b793-2cbfa81bb27c Environmental → Water → Ocean EF 3.1 kg 4
3d1f8980-68a0-4289-964f-239b27f65d93 Environmental → Water → Surface water EF 3.1 kg 4
ca073202-aaa3-42c3-b833-495ea23fef10 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c88a0b087d9eda05",
  "prefLabel": [
    {
      "@value": "Hexahydro-2h-azepin-2-one, Sodium Salt",
      "@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": "2H-Azepin-2-one, hexahydro-, sodium deriv.",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2123-24-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2123-24-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2H-Azepin-2-one, hexahydro-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2123-24-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2123-24-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2H-Azepin-2-one, hexahydro-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2123-24-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2123-24-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Addonyl Kat NL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2123-24-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2123-24-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Addonyl NL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2123-24-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2123-24-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bruggolen C 10",
      "@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=2123-24-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Caprolactam sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=2123-24-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kat NL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2123-24-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Sodiocaprolactam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "Sodiocaprolactam",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium caprolactam",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Sodium caprolactamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium hexanolactam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium ε-caprolactam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium ε-caprolactamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ε-Caprolactam sodium",
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      "provenance": {
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      }
    },
    {
      "@value": "ε-Caprolactam sodium salt",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ω-Caprolactam sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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  ],
  "properties": {
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        "C6H11NNaO"
      ],
      "attested_by": {
        "C6H11NNaO": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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          "prov:hadPrimarySource": [
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "DUQXROGNHFUZBI-UHFFFAOYSA-N"
      ],
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    },
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      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
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      "attested_by": {
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    },
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  },
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    "semantic_typing": {
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  "classifications": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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