2,3-naphthylenediamine

← Back to consensus flows

UUID ed48ea0c-763a-4f68-ba2e-384475d9958e

Deprecated yes

Replaced By beb57978-88b5-4695-aef1-73722dce9f5f

Flow Object ID fo-50ad155540fd269a

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 771-97-1

EC Numbers 212-241-0

prefLabel

Language	Value	Provenance
`en`	`2,3-naphthylenediamine`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,3-Diaminonaphthalene`
`en`	`2,3-Naphthalenediamine`
`en`	`NSC 62692`

References

Shared Properties

Predicate	Value
InChIKey	`VBRFYTXQKPWMEZ-UHFFFAOYSA-N, XTBLDMQMUSHDEN-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H10N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,11-12H2, InChI=1S/C12H9FN4S/c13-9-3-1-2-8(4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)`
IUPAC name	`(3-amino-2-naphthyl)amine, 6-[(3-fluorobenzyl)thio]-7H-purine, 6-[(3-fluorophenyl)methylsulfanyl]-7H-purine, 6-[(3-fluorophenyl)methylthio]-7H-purine, naphthalene-2,3-diamine`
Molecular formula	`C10H10N2, C12H9FN4S`
SMILES	`C1=CC(=CC(=C1)F)CSC2=NC=NC3=C2NC=N3, C1=CC=C2C=C(C(=CC2=C1)N)N`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`ed48ea0c-763a-4f68-ba2e-384475d9958e`	2,3-naphthylenediamine

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=2,3-naphthylenediamine\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=771-97-1; added Common Chemistry CAS names as altLabel: 2,3-Diaminonaphthalene, 2,3-Naphthalenediamine, NSC 62692; object_uuid=fo-50ad155540fd269a
`cas_match_labels`	1	`—`	consensus_match	group_key=2,3-naphthylenediamine\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'771-97-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-50ad155540fd269a: {'771-97-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,3-Diaminonaphthalene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:771-97-1', 'https://commonchemistry.cas.org/detail?cas_rn=771-97-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,3-Naphthalenediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:771-97-1', 'https://commonchemistry.cas.org/detail?cas_rn=771-97-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 62692', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:771-97-1', 'https://commonchemistry.cas.org/detail?cas_rn=771-97-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,3-naphthylenediamine\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=771-97-1; added Common Chemistry CAS names as altLabel: 2,3-Diaminonaphthalene, 2,3-Naphthalenediamine, NSC 62692; object_uuid=fo-50ad155540fd269a
`cas_match_labels`	`None`	`{'771-97-1': 'exactMatch'}`	group_key=2,3-naphthylenediamine\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'771-97-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-50ad155540fd269a: {'771-97-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "ed48ea0c-763a-4f68-ba2e-384475d9958e",
  "name": null,
  "cas_numbers": [
    "771-97-1"
  ],
  "ec_numbers": [
    "212-241-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "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": 201.16
    },
    {
      "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": 201.16
    }
  ],
  "source": "EF 3.1",
  "identifier": "ed48ea0c-763a-4f68-ba2e-384475d9958e",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "ed48ea0c-763a-4f68-ba2e-384475d9958e",
      "source_flow_name": "2,3-naphthylenediamine",
      "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 non-agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2,3-naphthylenediamine",
      "@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-grou-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": [
        "C10H10N2",
        "C12H9FN4S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872",
          "CID:95109"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VBRFYTXQKPWMEZ-UHFFFAOYSA-N",
        "XTBLDMQMUSHDEN-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872",
          "CID:95109"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=CC(=C1)F)CSC2=NC=NC3=C2NC=N3",
        "C1=CC=C2C=C(C(=CC2=C1)N)N"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872",
          "CID:95109"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H10N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,11-12H2",
        "InChI=1S/C12H9FN4S/c13-9-3-1-2-8(4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872",
          "CID:95109"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(3-amino-2-naphthyl)amine",
        "6-[(3-fluorobenzyl)thio]-7H-purine",
        "6-[(3-fluorophenyl)methylsulfanyl]-7H-purine",
        "6-[(3-fluorophenyl)methylthio]-7H-purine",
        "naphthalene-2,3-diamine"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872",
          "CID:95109"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J113.496E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95109;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.947E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.011.128",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=771-97-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "771-97-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID10224715",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95109;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID4061121",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18400",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95109;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62692",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2BNZ6BRS87",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0245385",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/69872",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[771-97-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/95109",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95109;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[771-97-1]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4758430",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95109;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27254527",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69872;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83103385",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95109;CAS:771-97-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[771-97-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,3-Diaminonaphthalene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:771-97-1",
          "https://commonchemistry.cas.org/detail?cas_rn=771-97-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Naphthalenediamine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:771-97-1",
          "https://commonchemistry.cas.org/detail?cas_rn=771-97-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 62692",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:771-97-1",
          "https://commonchemistry.cas.org/detail?cas_rn=771-97-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "771-97-1": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:beb57978-88b5-4695-aef1-73722dce9f5f",
  "is_replaced_by_uuid": "beb57978-88b5-4695-aef1-73722dce9f5f",
  "flow_object_id": "fo-50ad155540fd269a"
}