Consensus flow list

Identity

Type
Neutral molecule
CAS
104-13-2
EC
203-177-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-butylaniline

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OGIQUQKNJJTLSZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
IUPAC name chemrof:IUPAC_name 4-butylaniline
Molecular formula chemrof:molecular_formula C10H15N
Molecular mass chemrof:molecular_mass 149.237
Monoisotopic mass chemrof:monoisotopic_mass 149.120449
SMILES string chemrof:smiles_string CCCCc1ccc(N)cc1

Known URLs

7

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=104-13-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.889 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021856 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181902 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.014F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7694 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15726010 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3f6481d5-c69b-41e1-959a-366af83b8239 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
99099bd1-4e6e-4598-9b86-140a82683c53 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5eefdfb1-43fb-4db8-a115-7181d24b7cce Environmental → Air → Indoor EF 3.1 kg 2
2a649d80-197a-472a-b730-89c7c5eda42a Environmental → Air → Long-term EF 3.1 kg 0
1e30419d-1893-4bbf-b227-4be0cd93581a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fadb3dd0-c780-4005-ae3d-08c366d6a9ab Environmental → Air → Unknown EF 3.1 kg 2
82770cc0-95ce-4ba0-beb0-f06495a924e0 Environmental → Ground → Agricultural EF 3.1 kg 2
0b7d0015-1a93-472d-be04-ce080a1216f8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c6e6bf75-0358-4961-a108-e69ca2e4c5a9 Environmental → Ground → Unknown EF 3.1 kg 2
4a60891c-e3a6-4876-ad31-235c0667b4f4 Environmental → Water → Long-term EF 3.1 kg 0
ca8c7d1d-a9d3-4b85-a493-571bec6029c7 Environmental → Water → Ocean EF 3.1 kg 2
6ee62b5d-8509-4020-993a-810b5b42b495 Environmental → Water → Surface water EF 3.1 kg 2
48ade269-7fe2-443a-9913-75381b591a67 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-3ecbbfdb5832e2e0",
  "prefLabel": [
    {
      "@value": "4-butylaniline",
      "@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": "(4-Butylphenyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:104-13-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-13-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Butylbenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:104-13-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-13-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-n-Butylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:104-13-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-13-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aniline, p-butyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:104-13-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-13-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 4-butyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:104-13-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-13-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Aminobutylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:104-13-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-13-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Butylaminobenzene",
      "@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=104-13-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Butylaniline",
      "@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=104-13-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-n-Butylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-13-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H15N"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "OGIQUQKNJJTLSZ-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCc1ccc(N)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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        },
        {
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3"
      ],
      "provenance": [
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        },
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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        ]
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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        },
        {
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        }
      ],
      "attested_by": {
        "149.237": [
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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": [
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      ],
      "provenance": [
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        },
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        }
      ],
      "attested_by": {
        "149.120449": [
          "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=J45.014F",
      "provenance": {
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    },
    {
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  "created_from": {
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    "seed_uuid": "0b7d0015-1a93-472d-be04-ce080a1216f8",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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      "rdfs:seeAlso": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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