N-nitroso-n-isobutyl Urea

UUID 08a91e70-3ddc-11dd-911d-0050c2490048

Flow Object ID fo-39907de2fdf77181

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 760-60-1

prefLabel

Language	Value	Provenance
`en`	`N-nitroso-n-isobutyl Urea`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-(2-Methylpropyl)-1-nitrosourea`
`en`	`1-Isobutyl-1-nitrosourea`
`en`	`<em>N</em>-(2-Methylpropyl)-<em>N</em>-nitrosourea`
`en`	`<em>N</em>-Isobutyl-<em>N</em>-nitrosourea`
`en`	`<em>N</em>-Nitrosoisobutylurea`
`en`	`Urea, 1-isobutyl-1-nitroso-`
`en`	`Urea, <em>N</em>-(2-methylpropyl)-<em>N</em>-nitroso-`

References

Shared Properties

Predicate	Value
InChIKey	`IZKKOZOZZHDZQL-UHFFFAOYSA-N, SRSYSQPJIQFKKN-UHFFFAOYSA-N`
InChI	`InChI=1S/C12H13ClN2/c13-10-5-1-2-6-11(10)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2, InChI=1S/C5H11N3O2/c1-4(2)3-8(7-10)5(6)9/h4H,3H2,1-2H3,(H2,6,9)`
IUPAC name	`1-(2-chloroanilino)-1-cyclopentanecarbonitrile, 1-(2-chloroanilino)cyclopentane-1-carbonitrile, 1-(2-chloroanilino)cyclopentanecarbonitrile, 1-(2-methylpropyl)-1-nitroso-urea, 1-(2-methylpropyl)-1-nitrosourea, 1-[(2-chlorophenyl)amino]cyclopentane-1-carbonitrile, 1-isobutyl-1-nitroso-urea`
Molecular formula	`C12H13ClN2, C5H11N3O2`
SMILES	`C1CCC(C1)(C#N)NC2=CC=CC=C2Cl, CC(C)CN(C(=O)N)N=O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`08a91e70-3ddc-11dd-911d-0050c2490048`	n-nitroso-n-isobutyl urea

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	n-nitroso-n-isobutyl urea	Emissions/Emissions to water/Emissions to fresh water	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=n-nitroso-n-isobutylurea\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=760-60-1; added Common Chemistry CAS names as altLabel: 1-(2-Methylpropyl)-1-nitrosourea, 1-Isobutyl-1-nitrosourea, <em>N</em>-(2-Methylpropyl)-<em>N</em>-nitrosourea, <em>N</em>-Isobutyl-<em>N</em>-nitrosourea, <em>N</em>-Nitrosoisobutylurea, Urea, 1-isobutyl-1-nitroso-, Urea, <em>N</em>-(2-methylpropyl)-<em>N</em>-nitroso-; object_uuid=fo-39907de2fdf77181
`cas_match_labels`	1	`—`	consensus_match	group_key=n-nitroso-n-isobutylurea\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'760-60-1': []}; assigned CAS labels from group consensus; object_uuid=fo-39907de2fdf77181: {'760-60-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-(2-Methylpropyl)-1-nitrosourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:760-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=760-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isobutyl-1-nitrosourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:760-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=760-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-(2-Methylpropyl)-<em>N</em>-nitrosourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:760-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=760-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Isobutyl-<em>N</em>-nitrosourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:760-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=760-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Nitrosoisobutylurea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:760-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=760-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, 1-isobutyl-1-nitroso-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:760-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=760-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, <em>N</em>-(2-methylpropyl)-<em>N</em>-nitroso-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:760-60-1', 'https://commonchemistry.cas.org/detail?cas_rn=760-60-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=n-nitroso-n-isobutylurea\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=760-60-1; added Common Chemistry CAS names as altLabel: 1-(2-Methylpropyl)-1-nitrosourea, 1-Isobutyl-1-nitrosourea, <em>N</em>-(2-Methylpropyl)-<em>N</em>-nitrosourea, <em>N</em>-Isobutyl-<em>N</em>-nitrosourea, <em>N</em>-Nitrosoisobutylurea, Urea, 1-isobutyl-1-nitroso-, Urea, <em>N</em>-(2-methylpropyl)-<em>N</em>-nitroso-; object_uuid=fo-39907de2fdf77181
`cas_match_labels`	`None`	`{'760-60-1': 'exactMatch'}`	group_key=n-nitroso-n-isobutylurea\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'760-60-1': []}; assigned CAS labels from group consensus; object_uuid=fo-39907de2fdf77181: {'760-60-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "08a91e70-3ddc-11dd-911d-0050c2490048",
  "name": null,
  "cas_numbers": [
    "760-60-1"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "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": 9.4426e-6
    },
    {
      "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": 9.4426e-6
    }
  ],
  "source": "EF 3.1",
  "identifier": "08a91e70-3ddc-11dd-911d-0050c2490048",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "08a91e70-3ddc-11dd-911d-0050c2490048",
      "source_flow_name": "n-nitroso-n-isobutyl urea",
      "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 water",
          "Emissions to fresh water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "N-nitroso-n-isobutyl Urea",
      "@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-wate-suwa",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H13ClN2",
        "C5H11N3O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800",
          "CID:243098"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "IZKKOZOZZHDZQL-UHFFFAOYSA-N",
        "SRSYSQPJIQFKKN-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800",
          "CID:243098"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1CCC(C1)(C#N)NC2=CC=CC=C2Cl",
        "CC(C)CN(C(=O)N)N=O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800",
          "CID:243098"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H13ClN2/c13-10-5-1-2-6-11(10)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2",
        "InChI=1S/C5H11N3O2/c1-4(2)3-8(7-10)5(6)9/h4H,3H2,1-2H3,(H2,6,9)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800",
          "CID:243098"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-(2-chloroanilino)-1-cyclopentanecarbonitrile",
        "1-(2-chloroanilino)cyclopentane-1-carbonitrile",
        "1-(2-chloroanilino)cyclopentanecarbonitrile",
        "1-(2-methylpropyl)-1-nitroso-urea",
        "1-(2-methylpropyl)-1-nitrosourea",
        "1-[(2-chlorophenyl)amino]cyclopentane-1-carbonitrile",
        "1-isobutyl-1-nitroso-urea"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800",
          "CID:243098"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.322G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[760-60-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=6636-95-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:243098;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[760-60-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=760-60-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[760-60-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0020999",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[760-60-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40287737",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:243098;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[760-60-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=52323",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:243098;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[760-60-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y394PTR3UK",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[760-60-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/243098",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:243098;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[760-60-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/69800",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[760-60-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81983671",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69800;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[760-60-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82023873",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:243098;CAS:760-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[760-60-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(2-Methylpropyl)-1-nitrosourea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:760-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=760-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Isobutyl-1-nitrosourea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:760-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=760-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>N</em>-(2-Methylpropyl)-<em>N</em>-nitrosourea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:760-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=760-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>N</em>-Isobutyl-<em>N</em>-nitrosourea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:760-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=760-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>N</em>-Nitrosoisobutylurea",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:760-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=760-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, 1-isobutyl-1-nitroso-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:760-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=760-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, <em>N</em>-(2-methylpropyl)-<em>N</em>-nitroso-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:760-60-1",
          "https://commonchemistry.cas.org/detail?cas_rn=760-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "760-60-1": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-11dd-911d-0050c2490048",
        "skos:prefLabel": "n-nitroso-n-isobutyl urea",
        "context": "Emissions/Emissions to water/Emissions to fresh water",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-911d-0050c2490048"
      },
      "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-39907de2fdf77181"
}