← Back to consensus flows

(3-aminophenyl)uronium Chloride

UUID 47956e2e-dbc0-4cbc-81da-b74058762c58
Flow Object IDfo-b26b0d4a184da2e8
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 59690-88-9
EC Numbers 261-858-1
prefLabel
Language Value Provenance
en (3-aminophenyl)uronium Chloride
altLabel ⓘ
Language Value Provenance
en (3-Aminophenyl)-urea hydrochloride
en (3-Aminophenyl)-urea monohydrochloride
en 1-(3-Aminophenyl)urea hydrochloride
en Urea, (3-aminophenyl)-, monohydrochloride
en Urea, <em>N</em>-(3-aminophenyl)-, hydrochloride (1:1)
References
Shared Properties
Predicate Value
InChIKey SXQDSMFQHHMENL-UHFFFAOYSA-N, VTTUKXZEJFCOIL-UHFFFAOYSA-N, ZNXSFVXZQBETRJ-UHFFFAOYSA-N
InChI InChI=1S/C12H21NO/c1-2-5-10(6-3-1)13-9-11-7-4-8-12(13)14-11/h10-12H,1-9H2, InChI=1S/C7H9N3O.ClH/c8-5-2-1-3-6(4-5)10-7(9)11;/h1-4H,8H2,(H3,9,10,11);1H, InChI=1S/C7H9N3O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,8H2,(H3,9,10,11)
IUPAC name (3-aminophenyl)urea, (3-aminophenyl)urea;hydrochloride, 1-(3-aminophenyl)urea, 1-(3-aminophenyl)urea;hydrochloride, 6-cyclohexyl-8-oxa-6-azabicyclo[3.2.1]octane
Molecular formula C12H21NO, C7H10ClN3O, C7H9N3O
SMILES C1=CC(=CC(=C1)NC(=O)N)N, C1=CC(=CC(=C1)NC(=O)N)N.Cl, C1CCC(CC1)N2CC3CCCC2O3

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 47956e2e-dbc0-4cbc-81da-b74058762c58 (3-aminophenyl)uronium chloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 (3-aminophenyl)uronium chloride Emissions/Emissions to air/Emissions to air, unspecified 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=(3-aminophenyl)uroniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=59690-88-9; added Common Chemistry CAS names as altLabel: (3-Aminophenyl)-urea hydrochloride, (3-Aminophenyl)-urea monohydrochloride, 1-(3-Aminophenyl)urea hydrochloride, Urea, (3-aminophenyl)-, monohydrochloride, Urea, <em>N</em>-(3-aminophenyl)-, hydrochloride (1:1); object_uuid=fo-b26b0d4a184da2e8
cas_match_labels 1 — consensus_match group_key=(3-aminophenyl)uroniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'59690-88-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b26b0d4a184da2e8: {'59690-88-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(3-Aminophenyl)-urea hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:59690-88-9', 'https://commonchemistry.cas.org/detail?cas_rn=59690-88-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(3-Aminophenyl)-urea monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:59690-88-9', 'https://commonchemistry.cas.org/detail?cas_rn=59690-88-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(3-Aminophenyl)urea hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:59690-88-9', 'https://commonchemistry.cas.org/detail?cas_rn=59690-88-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, (3-aminophenyl)-, monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:59690-88-9', 'https://commonchemistry.cas.org/detail?cas_rn=59690-88-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, <em>N</em>-(3-aminophenyl)-, hydrochloride (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:59690-88-9', 'https://commonchemistry.cas.org/detail?cas_rn=59690-88-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=(3-aminophenyl)uroniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=59690-88-9; added Common Chemistry CAS names as altLabel: (3-Aminophenyl)-urea hydrochloride, (3-Aminophenyl)-urea monohydrochloride, 1-(3-Aminophenyl)urea hydrochloride, Urea, (3-aminophenyl)-, monohydrochloride, Urea, <em>N</em>-(3-aminophenyl)-, hydrochloride (1:1); object_uuid=fo-b26b0d4a184da2e8
cas_match_labels None {'59690-88-9': 'exactMatch'} group_key=(3-aminophenyl)uroniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'59690-88-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b26b0d4a184da2e8: {'59690-88-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "47956e2e-dbc0-4cbc-81da-b74058762c58",
  "name": null,
  "cas_numbers": [
    "59690-88-9"
  ],
  "ec_numbers": [
    "261-858-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 32.575
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 32.575
    }
  ],
  "source": "EF 3.1",
  "identifier": "47956e2e-dbc0-4cbc-81da-b74058762c58",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "47956e2e-dbc0-4cbc-81da-b74058762c58",
      "source_flow_name": "(3-aminophenyl)uronium chloride",
      "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, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "(3-aminophenyl)uronium Chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "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-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": [
        "C12H21NO",
        "C7H10ClN3O",
        "C7H9N3O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108805",
          "CID:108806",
          "CID:265981"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SXQDSMFQHHMENL-UHFFFAOYSA-N",
        "VTTUKXZEJFCOIL-UHFFFAOYSA-N",
        "ZNXSFVXZQBETRJ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108805",
          "CID:108806",
          "CID:265981"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=CC(=C1)NC(=O)N)N",
        "C1=CC(=CC(=C1)NC(=O)N)N.Cl",
        "C1CCC(CC1)N2CC3CCCC2O3"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108805",
          "CID:108806",
          "CID:265981"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H21NO/c1-2-5-10(6-3-1)13-9-11-7-4-8-12(13)14-11/h10-12H,1-9H2",
        "InChI=1S/C7H9N3O.ClH/c8-5-2-1-3-6(4-5)10-7(9)11;/h1-4H,8H2,(H3,9,10,11);1H",
        "InChI=1S/C7H9N3O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,8H2,(H3,9,10,11)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108805",
          "CID:108806",
          "CID:265981"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(3-aminophenyl)urea",
        "(3-aminophenyl)urea;hydrochloride",
        "1-(3-aminophenyl)urea",
        "1-(3-aminophenyl)urea;hydrochloride",
        "6-cyclohexyl-8-oxa-6-azabicyclo[3.2.1]octane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108805",
          "CID:108806",
          "CID:265981"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J28.403C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108806;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.042.896",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108806;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.056.217",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108805;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=25711-72-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108806;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=59690-88-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108805;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1067126",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108806;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20974658",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:265981;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9069348",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108805;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=102853",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:265981;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/108805",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108805;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[59690-88-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/108806",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108806;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[59690-88-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/265981",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:265981;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[59690-88-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72440973",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108806;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72440975",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108805;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82959077",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:265981;CAS:59690-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[59690-88-9]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(3-Aminophenyl)-urea hydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59690-88-9",
          "https://commonchemistry.cas.org/detail?cas_rn=59690-88-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(3-Aminophenyl)-urea monohydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59690-88-9",
          "https://commonchemistry.cas.org/detail?cas_rn=59690-88-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(3-Aminophenyl)urea hydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59690-88-9",
          "https://commonchemistry.cas.org/detail?cas_rn=59690-88-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, (3-aminophenyl)-, monohydrochloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59690-88-9",
          "https://commonchemistry.cas.org/detail?cas_rn=59690-88-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, <em>N</em>-(3-aminophenyl)-, hydrochloride (1:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59690-88-9",
          "https://commonchemistry.cas.org/detail?cas_rn=59690-88-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "59690-88-9": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/47956e2e-dbc0-4cbc-81da-b74058762c58",
        "skos:prefLabel": "(3-aminophenyl)uronium chloride",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/47956e2e-dbc0-4cbc-81da-b74058762c58"
      },
      "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-b26b0d4a184da2e8"
}