← Back to consensus flows

1,3-dibutyl-1-nitrosourea

UUID ab655789-83a7-4731-b95d-c15b90901911
Flow Object IDfo-cb0d378423e85fd0
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 56654-52-5
prefLabel
Language Value Provenance
en 1,3-dibutyl-1-nitrosourea
altLabel
Language Value Provenance
en <em>N</em>,<em>N</em>′-Dibutyl-<em>N</em>-nitrosourea
en <em>N</em>,<em>N</em>′-Dibutyl-<em>N</em>′-nitrosourea
en Urea, <em>N</em>,<em>N</em>′-dibutyl-<em>N</em>-nitroso-
en Urea, <em>N</em>,<em>N</em>′-dibutyl-<em>N</em>′-nitroso-
References
Shared Properties
Predicate Value
InChIKey IXYNDRDIXRTMAT-UHFFFAOYSA-N, OWGLVQAUSIPFBA-UHFFFAOYSA-N
InChI InChI=1S/C9H19N3O2/c1-3-5-7-10-9(13)12(11-14)8-6-4-2/h3-8H2,1-2H3,(H,10,13), InChI=1S/C9H8N4O3/c1-10-9(14)12-8-4-7(13(15)16)3-2-6(8)5-11-12/h2-5H,1H3,(H,10,14)
IUPAC name 1,3-dibutyl-1-nitroso-urea, 1,3-dibutyl-1-nitrosourea, N-methyl-6-nitro-1-indazolecarboxamide, N-methyl-6-nitro-indazole-1-carboxamide, N-methyl-6-nitroindazole-1-carboxamide
Molecular formula C9H19N3O2, C9H8N4O3
SMILES CCCCNC(=O)N(CCCC)N=O, CNC(=O)N1C2=C(C=CC(=C2)[N+](=O)[O-])C=N1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 ab655789-83a7-4731-b95d-c15b90901911 1,3-dibutyl-1-nitrosourea

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1,3-dibutyl-1-nitrosourea Emissions/Emissions to air/Emissions to air, indoor kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=1,3-dibutyl-1-nitrosourea||dimension=Environmental > media=Water > water_body=Unknown; cas=56654-52-5; added Common Chemistry CAS names as altLabel: <em>N</em>,<em>N</em>′-Dibutyl-<em>N</em>-nitrosourea, <em>N</em>,<em>N</em>′-Dibutyl-<em>N</em>′-nitrosourea, Urea, <em>N</em>,<em>N</em>′-dibutyl-<em>N</em>-nitroso-, Urea, <em>N</em>,<em>N</em>′-dibutyl-<em>N</em>′-nitroso-; object_uuid=fo-cb0d378423e85fd0
cas_match_labels 1 consensus_match group_key=1,3-dibutyl-1-nitrosourea||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'56654-52-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0d378423e85fd0: {'56654-52-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '<em>N</em>,<em>N</em>′-Dibutyl-<em>N</em>-nitrosourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56654-52-5', 'https://commonchemistry.cas.org/detail?cas_rn=56654-52-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>′-Dibutyl-<em>N</em>′-nitrosourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56654-52-5', 'https://commonchemistry.cas.org/detail?cas_rn=56654-52-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, <em>N</em>,<em>N</em>′-dibutyl-<em>N</em>-nitroso-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56654-52-5', 'https://commonchemistry.cas.org/detail?cas_rn=56654-52-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, <em>N</em>,<em>N</em>′-dibutyl-<em>N</em>′-nitroso-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56654-52-5', 'https://commonchemistry.cas.org/detail?cas_rn=56654-52-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,3-dibutyl-1-nitrosourea||dimension=Environmental > media=Water > water_body=Unknown; cas=56654-52-5; added Common Chemistry CAS names as altLabel: <em>N</em>,<em>N</em>′-Dibutyl-<em>N</em>-nitrosourea, <em>N</em>,<em>N</em>′-Dibutyl-<em>N</em>′-nitrosourea, Urea, <em>N</em>,<em>N</em>′-dibutyl-<em>N</em>-nitroso-, Urea, <em>N</em>,<em>N</em>′-dibutyl-<em>N</em>′-nitroso-; object_uuid=fo-cb0d378423e85fd0
cas_match_labels None {'56654-52-5': 'exactMatch'} group_key=1,3-dibutyl-1-nitrosourea||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'56654-52-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0d378423e85fd0: {'56654-52-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "ab655789-83a7-4731-b95d-c15b90901911",
  "name": null,
  "cas_numbers": [
    "56654-52-5"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.00060198
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.00060198
    }
  ],
  "source": "EF 3.1",
  "identifier": "ab655789-83a7-4731-b95d-c15b90901911",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "ab655789-83a7-4731-b95d-c15b90901911",
      "source_flow_name": "1,3-dibutyl-1-nitrosourea",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, indoor"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "1,3-dibutyl-1-nitrosourea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H19N3O2",
        "C9H8N4O3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352",
          "CID:267954"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "IXYNDRDIXRTMAT-UHFFFAOYSA-N",
        "OWGLVQAUSIPFBA-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352",
          "CID:267954"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCNC(=O)N(CCCC)N=O",
        "CNC(=O)N1C2=C(C=CC(=C2)[N+](=O)[O-])C=N1"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352",
          "CID:267954"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C9H19N3O2/c1-3-5-7-10-9(13)12(11-14)8-6-4-2/h3-8H2,1-2H3,(H,10,13)",
        "InChI=1S/C9H8N4O3/c1-10-9(14)12-8-4-7(13(15)16)3-2-6(8)5-11-12/h2-5H,1H3,(H,10,14)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352",
          "CID:267954"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,3-dibutyl-1-nitroso-urea",
        "1,3-dibutyl-1-nitrosourea",
        "N-methyl-6-nitro-1-indazolecarboxamide",
        "N-methyl-6-nitro-indazole-1-carboxamide",
        "N-methyl-6-nitroindazole-1-carboxamide"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352",
          "CID:267954"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.078B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352;CAS:56654-52-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56654-52-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=56654-52-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352;CAS:56654-52-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56654-52-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID10947058",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:267954;CAS:56654-52-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56654-52-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8020418",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352;CAS:56654-52-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56654-52-5]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=107844",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:267954;CAS:56654-52-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56654-52-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TP4GZT783C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352;CAS:56654-52-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56654-52-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/267954",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:267954;CAS:56654-52-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[56654-52-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/92352",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352;CAS:56654-52-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[56654-52-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q63088180",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92352;CAS:56654-52-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56654-52-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82924802",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:267954;CAS:56654-52-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56654-52-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "<em>N</em>,<em>N</em>′-Dibutyl-<em>N</em>-nitrosourea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56654-52-5",
          "https://commonchemistry.cas.org/detail?cas_rn=56654-52-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>N</em>,<em>N</em>′-Dibutyl-<em>N</em>′-nitrosourea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56654-52-5",
          "https://commonchemistry.cas.org/detail?cas_rn=56654-52-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, <em>N</em>,<em>N</em>′-dibutyl-<em>N</em>-nitroso-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56654-52-5",
          "https://commonchemistry.cas.org/detail?cas_rn=56654-52-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, <em>N</em>,<em>N</em>′-dibutyl-<em>N</em>′-nitroso-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56654-52-5",
          "https://commonchemistry.cas.org/detail?cas_rn=56654-52-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "56654-52-5": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/ab655789-83a7-4731-b95d-c15b90901911",
        "skos:prefLabel": "1,3-dibutyl-1-nitrosourea",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/ab655789-83a7-4731-b95d-c15b90901911"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-cb0d378423e85fd0"
}