Consensus flow list

Identity

Type
NeutralMolecule
CAS
5343-44-2
EC
438-530-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n-dibutyldodecanamide

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MFARGUPPFBTESX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H41NO/c1-4-7-10-11-12-13-14-15-16-17-20(22)21(18-8-5-2)19-9-6-3/h4-19H2,1-3H3
IUPAC name chemrof:IUPAC_name N,N-Dibutyllauramide
Molecular formula chemrof:molecular_formula C20H41NO
Molecular mass chemrof:molecular_mass 311.554
Monoisotopic mass chemrof:monoisotopic_mass 311.318815
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)N(CCCC)CCCC

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=5343-44-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.538 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80968098 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=457 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6356 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.040.849K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/219313 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82950793 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bfdabc78-3933-4b4f-94c4-c4b9036f3d94 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d4366111-89b8-4db6-9b16-8894909c057c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
43243b50-487c-4d78-9eb6-69dfdf856814 Environmental → Air → Indoor EF 3.1 kg 2
50442a27-3b3e-43ae-885d-1698b99755fe Environmental → Air → Long-term EF 3.1 kg 0
8c3ee3e8-92db-4fcc-8a43-db98fb34ad7d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
37316359-49fe-4954-bc84-dc6e5865637c Environmental → Air → Unknown EF 3.1 kg 2
d9ed4a2b-c236-49c0-a629-c86edec5be45 Environmental → Ground → Agricultural EF 3.1 kg 2
2b7cb06a-b569-430a-964f-40bb2e1ce200 Environmental → Ground → Non-agricultural EF 3.1 kg 2
04e073cb-bd11-478d-83cf-245f57746980 Environmental → Ground → Unknown EF 3.1 kg 2
5064dc5f-b28f-4018-a770-9849486e857a Environmental → Water → Long-term EF 3.1 kg 0
004f7d38-2aea-4553-bc7f-d1b5c44b56c8 Environmental → Water → Ocean EF 3.1 kg 2
d2ef18d3-fb81-4230-aee8-aca047d7c454 Environmental → Water → Surface water EF 3.1 kg 2
cdd3e8f7-27ca-41b9-8e1b-26506c3f92e6 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-a2a495632a6f5acd",
  "prefLabel": [
    {
      "@value": "N,n-dibutyldodecanamide",
      "@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": "Dodecanamide, N,N-dibutyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5343-44-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5343-44-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Dibutyllauramide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5343-44-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5343-44-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C20H41NO"
      ],
      "attested_by": {
        "C20H41NO": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "CID:219313"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)N(CCCC)CCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "MFARGUPPFBTESX-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCC(=O)N(CCCC)CCCC"
      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)N(CCCC)CCCC"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCCCC(=O)N(CCCC)CCCC": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C20H41NO/c1-4-7-10-11-12-13-14-15-16-17-20(22)21(18-8-5-2)19-9-6-3/h4-19H2,1-3H3"
      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)N(CCCC)CCCC"
          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "N,N-Dibutyllauramide"
      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "N,N-Dibutyllauramide": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)N(CCCC)CCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)N(CCCC)CCCC"
          ]
        }
      ],
      "attested_by": {
        "311.554": [
          "rdkit_post_consensus",
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        ]
      },
      "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": [
        311.318815
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)N(CCCC)CCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)N(CCCC)CCCC"
          ]
        }
      ],
      "attested_by": {
        "311.318815": [
          "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=J1.040.849K",
      "provenance": {
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    },
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "004f7d38-2aea-4553-bc7f-d1b5c44b56c8",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  "parent_intervention_id": null,
  "@type": [
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}

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