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Tetrabutylammonium bromide

UUID 6b9a59c2-d0f6-4de4-beb1-cdbccbfe29c1
Deprecated yes
Replaced By 0920ce14-8ae5-4f5b-95d9-9e1f324ed60b
Flow Object IDfo-b4850b8e480f02f7
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 1643-19-2
EC Numbers 216-699-2
prefLabel ⓘ
Language Value Provenance
en Tetrabutylammonium bromide
altLabel ⓘ
Language Value Provenance
en N,N,N-tributyl-1-butanaminium bromide
en TBAB
en tetra-N-butylammonium bromide
en 1-Butanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tributyl-, bromide
en 1-Butanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tributyl-, bromide (1:1)
en 28296B
en 28296F
en AP 6G
en Actiron 43-65
en Aliquat 100
en Ammonium, tetrabutyl-, bromide
en Mastermix MB 4988
en TBAB 100A
en TBAB 50A
en TBABr
en Tetra-<em>n</em>-butylammonium bromide
Definitions
Language Value Provenance
en A tetrabutylammonium salt with bromide as the anionic counterpart.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey JRMUNVKIHCOMHV-UHFFFAOYSA-M
InChI InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
IUPAC name tetrabutylammonium bromide, tetrabutylazanium bromide
Molecular formula Br.C16H36N, C16H36BrN
Molecular mass 322.375
Monoisotopic mass 321.20311
SMILES CCCC[N+](CCCC)(CCCC)CCCC.[Br-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 6b9a59c2-d0f6-4de4-beb1-cdbccbfe29c1 n,n,n-tributylbutan-1-aminium bromide

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=n,n,n-tributylbutan-1-aminiumbromide||dimension=Environmental > media=Ground > geography=Unknown; cas=1643-19-2; added Common Chemistry CAS names as altLabel: 1-Butanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tributyl-, bromide, 1-Butanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tributyl-, bromide (1:1), 28296B, 28296F, AP 6G, Actiron 43-65, Aliquat 100, Ammonium, tetrabutyl-, bromide, Mastermix MB 4988, TBAB 100A, TBAB 50A, TBABr, Tetra-<em>n</em>-butylammonium bromide; object_uuid=fo-b4850b8e480f02f7
cas_match_labels 1 — consensus_match group_key=n,n,n-tributylbutan-1-aminiumbromide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1643-19-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b4850b8e480f02f7: {'1643-19-2': 'exactMatch'}
prefLabel 1 — consensus_match cas=1643-19-2; cc_chebi_agreed_name='Tetrabutylammonium bromide'; object_uuid=fo-b4850b8e480f02f7

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'N,n,n-tributylbutan-1-aminium Bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Tetrabutylammonium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=1643-19-2; cc_chebi_agreed_name='Tetrabutylammonium bromide'; object_uuid=fo-b4850b8e480f02f7
altLabel [{'@value': 'N,N,N-tributyl-1-butanaminium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N,N-tributyl-1-butanaminium bromide', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TBAB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TBAB', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tetra-N-butylammonium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tetra-N-butylammonium bromide', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'N,N,N-tributyl-1-butanaminium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N,N-tributyl-1-butanaminium bromide', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TBAB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TBAB', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tetra-N-butylammonium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tetra-N-butylammonium bromide', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,n,n-tributylbutan-1-aminium Bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=1643-19-2; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-b4850b8e480f02f7
altLabel [{'@value': 'N,N,N-tributyl-1-butanaminium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N,N-tributyl-1-butanaminium bromide', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TBAB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TBAB', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tetra-N-butylammonium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tetra-N-butylammonium bromide', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,n,n-tributylbutan-1-aminium Bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': 'N,N,N-tributyl-1-butanaminium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N,N-tributyl-1-butanaminium bromide', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TBAB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TBAB', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tetra-N-butylammonium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tetra-N-butylammonium bromide', 'http://purl.obolibrary.org/obo/CHEBI_51993', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Butanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tributyl-, bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Butanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tributyl-, bromide (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '28296B', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '28296F', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'AP 6G', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Actiron 43-65', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aliquat 100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ammonium, tetrabutyl-, bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mastermix MB 4988', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TBAB 100A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TBAB 50A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TBABr', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tetra-<em>n</em>-butylammonium bromide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1643-19-2', 'https://commonchemistry.cas.org/detail?cas_rn=1643-19-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=n,n,n-tributylbutan-1-aminiumbromide||dimension=Environmental > media=Ground > geography=Unknown; cas=1643-19-2; added Common Chemistry CAS names as altLabel: 1-Butanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tributyl-, bromide, 1-Butanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tributyl-, bromide (1:1), 28296B, 28296F, AP 6G, Actiron 43-65, Aliquat 100, Ammonium, tetrabutyl-, bromide, Mastermix MB 4988, TBAB 100A, TBAB 50A, TBABr, Tetra-<em>n</em>-butylammonium bromide; object_uuid=fo-b4850b8e480f02f7
cas_match_labels None {'1643-19-2': 'exactMatch'} group_key=n,n,n-tributylbutan-1-aminiumbromide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1643-19-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b4850b8e480f02f7: {'1643-19-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "6b9a59c2-d0f6-4de4-beb1-cdbccbfe29c1",
  "name": null,
  "cas_numbers": [
    "1643-19-2"
  ],
  "ec_numbers": [
    "216-699-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "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": 0.10288
    },
    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.10288
    }
  ],
  "source": "EF 3.1",
  "identifier": "6b9a59c2-d0f6-4de4-beb1-cdbccbfe29c1",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "source_flow_uuid": "6b9a59c2-d0f6-4de4-beb1-cdbccbfe29c1",
      "source_flow_name": "n,n,n-tributylbutan-1-aminium bromide",
      "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": "Tetrabutylammonium bromide",
      "@language": "en",
      "source": {
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  "_sources": {
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    "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"
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  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "@value": [
        "Br.C16H36N",
        "C16H36BrN"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCC[N+](CCCC)(CCCC)CCCC.[Br-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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      ],
      "rdfs:label": "InChI",
      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
      "provenance": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
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        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
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      ],
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
      }
    },
    "https://w3id.org/chemrof/formal_charge": {
      "@id": "https://w3id.org/chemrof/formal_charge",
      "@value": [
        "0"
      ],
      "rdfs:label": "Formal charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
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        "tetrabutylazanium bromide"
      ],
      "rdfs:label": "IUPAC name",
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