R(-)-N-Nitroso-2-methylpiperidine

UUID 4d9a8790-3ddd-11dd-98b7-0050c2490048

Flow Object ID fo-0f83aa338b5232f2

Source EF 3.1

Context Environmental → Ground → Agricultural

CAS Numbers 14026-03-0

prefLabel

Language	Value	Provenance
`en`	`R(-)-N-Nitroso-2-methylpiperidine`

altLabel

Language	Value	Provenance
`en`	`R-(-)-2-methyl-n-nitrosopiperidine`

References

Shared Properties

Predicate	Value
InChIKey	`SSPVLHFEMWOTGD-ZCFIWIBFSA-N`
InChI	`InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3/t6-/m1/s1`
IUPAC name	`(2R)-2-methyl-1-nitroso-piperidine, (2R)-2-methyl-1-nitrosopiperidine`
Molecular formula	`C6H12N2O`
SMILES	`CC1CCCCN1N=O, C[C@@H]1CCCCN1N=O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`4d9a8790-3ddd-11dd-98b7-0050c2490048`	r-(-)-2-methyl-n-nitrosopiperidine

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	r-(-)-2-methyl-n-nitrosopiperidine	Emissions/Emissions to soil/Emissions to agricultural soil	kg	`exactMatch`	—

Consolidated Field Provenance

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

Field	Change Count	Latest Time	Transformers	Latest Comment
`cas_match_labels`	1	`—`	consensus_match	group_key=r-(-)-2-methyl-n-nitrosopiperidine\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'14026-03-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0f83aa338b5232f2: {'14026-03-0': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Agricultural

Consensus Changes

Field	Old Value	New Value	Comment
`cas_match_labels`	`None`	`{'14026-03-0': 'exactMatch'}`	group_key=r-(-)-2-methyl-n-nitrosopiperidine\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'14026-03-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0f83aa338b5232f2: {'14026-03-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "4d9a8790-3ddd-11dd-98b7-0050c2490048",
  "name": null,
  "cas_numbers": [
    "14026-03-0"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": "Correct mapping CAS and flow to be verified, potentially wrong. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "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": 3.1227e-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": 3.1227e-6
    }
  ],
  "source": "EF 3.1",
  "identifier": "4d9a8790-3ddd-11dd-98b7-0050c2490048",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "4d9a8790-3ddd-11dd-98b7-0050c2490048",
      "source_flow_name": "r-(-)-2-methyl-n-nitrosopiperidine",
      "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 soil",
          "Emissions to agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "R(-)-N-Nitroso-2-methylpiperidine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14026-03-0",
          "CID:5284423"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "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",
    "cas_match_labels": "consensus_match",
    "altLabel": "pubchem_readable_name"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H12N2O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284423"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SSPVLHFEMWOTGD-ZCFIWIBFSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284423"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1CCCCN1N=O",
        "C[C@@H]1CCCCN1N=O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284423"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3/t6-/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284423"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(2R)-2-methyl-1-nitroso-piperidine",
        "(2R)-2-methyl-1-nitrosopiperidine"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284423"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.863I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284423;CAS:14026-03-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[14026-03-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=14026-03-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "14026-03-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6020852",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284423;CAS:14026-03-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[14026-03-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E1F19H18F9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284423;CAS:14026-03-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[14026-03-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/5284423",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284423;CAS:14026-03-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[14026-03-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27276747",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284423;CAS:14026-03-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[14026-03-0]"
      }
    }
  ],
  "cas_match_labels": {
    "14026-03-0": "exactMatch"
  },
  "altLabel": [
    {
      "@value": "R-(-)-2-methyl-n-nitrosopiperidine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4d9a8790-3ddd-11dd-98b7-0050c2490048"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-11dd-98b7-0050c2490048",
        "skos:prefLabel": "r-(-)-2-methyl-n-nitrosopiperidine",
        "context": "Emissions/Emissions to soil/Emissions to agricultural soil",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/4d9a8790-3ddd-11dd-98b7-0050c2490048"
      },
      "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-0f83aa338b5232f2"
}