N,n-dibutyl-n-methylbutan-1-aminium Chloride
Everything that changed this flow. Back to the flow
f3c72026-6ce7-4610-a04b-154354d16a36
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Aliquat 175' (trade name) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=n,n-dibutyl-n-methylbutan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56375-79-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-99e7d799cf8df232: {'56375-79-2': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['56375-79-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[36209, 91822, 215069]; selected_pubchem_cids=[91822]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,883 | bootstrap_labels | prefLabel | — | [{"@value":"n,n-dibutyl-n-methylbutan-1-aminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 22,884 | bootstrap_labels | name | n,n-dibutyl-n-methylbutan-1-aminium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 22,885 | bootstrap_labels | synonyms | ["organic","tributylmethylammoniumchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 196,324 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 196,325 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 220,584 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,229 | normalize_name_case | prefLabel | [{"@value":"n,n-dibutyl-n-methylbutan-1-aminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"N,n-dibutyl-n-methylbutan-1-aminium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,743 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H30ClN"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 247,744 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,745 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.054.651","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['56375-79-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[36209, 91822, 215069]; selected_pubchem_cids=[91822]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 254,250 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H30ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H30ClN"… | rdkit_pre_consensus from 'CCCC[N+](C)(CCCC)CCCC.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 269,182 | consensus_match | altLabel | [] | [{"@value":"1-Butanaminium, <em>N</em>,<em>N</em>-dibutyl-<em>N</em>-methyl-, chloride","@language":"en","source":{"pro… | group_key=n,n-dibutyl-n-methylbutan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Unknown; cas=56375-79-2; added Common Chemistry CAS names as altLabel: 1-Butanaminium, <em>N</em>,<em>N</em>-dibutyl-<em>N</em>-methyl-, chloride, 1-Butanaminium, <em>N</em>,<em>N</em>-dibutyl-<em>N</em>-methyl-, chloride (1:1), <em>N</em>-Methyl-<em>N</em>,<em>N</em>,<em>N</em>-tributylammonium chloride, Aliquat 175, Methyltributylammonium chloride, Tributylmethylammonium chloride; object_uuid=fo-99e7d799cf8df232 |
| 269,183 | consensus_match | cas_match_labels | — | {"56375-79-2":"exactMatch"} | group_key=n,n-dibutyl-n-methylbutan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56375-79-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-99e7d799cf8df232: {'56375-79-2': 'exactMatch'} |
| 279,478 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H30ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H30ClN"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-Butanaminium, N,N-dibutyl-N-methyl-, chloride' |
| 286,355 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H30ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H30ClN"… | rdkit_post_consensus from 'CCCC[N+](C)(CCCC)CCCC.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,698 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Butanaminium, <em>N</em>,<em>N</em>-dibutyl-<em>N</em>-methyl-, chloride","@language":"en","source":{"pro… | [{"@value":"1-Butanaminium, N,N-dibutyl-N-methyl-, chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | Removed 1 catalogue altLabel value(s): 'Aliquat 175' (trade name) |
| 379,195 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f3c72026-6ce7-… | associations resolved on the elementary layer |
| 393,872 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H30ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H30ClN"… | typed the way the ontology types it |
| 403,081 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260822T0600486828500000/22883 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v0 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v1 |
| ef:activity/change/20260822T0600486828500000/22884 | name | ef:agent/bootstrap_labels | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v1 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v2 |
| ef:activity/change/20260822T0600486828500000/22885 | synonyms | ef:agent/bootstrap_labels | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v2 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v3 |
| ef:activity/change/20260822T0600486828500000/196324 | context | ef:agent/default_context_mapping | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v3 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v4 |
| ef:activity/change/20260822T0600486828500000/196325 | context_iri | ef:agent/default_context_mapping | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v4 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v5 |
| ef:activity/change/20260822T0600486828500000/220584 | unit_iri | ef:agent/unit_normalization | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v5 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v6 |
| ef:activity/change/20260822T0600486828500000/226229 | prefLabel | ef:agent/normalize_name_case | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v6 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v7 |
| ef:activity/change/20260822T0600486828500000/247743 | properties | ef:agent/enrich_references | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v7 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v8 |
| ef:activity/change/20260822T0600486828500000/247744 | skos_definition | ef:agent/enrich_references | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v8 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v9 |
| ef:activity/change/20260822T0600486828500000/247745 | references | ef:agent/enrich_references | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v9 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v10 |
| ef:activity/change/20260822T0600486828500000/254250 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v10 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v11 |
| ef:activity/change/20260822T0600486828500000/269182 | altLabel | ef:agent/consensus_match | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v11 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v12 |
| ef:activity/change/20260822T0600486828500000/269183 | cas_match_labels | ef:agent/consensus_match | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v12 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v13 |
| ef:activity/change/20260822T0600486828500000/279478 | properties | ef:agent/opsin_iupac | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v13 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v14 |
| ef:activity/change/20260822T0600486828500000/286355 | properties | ef:agent/rdkit_post_consensus | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v14 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v15 |
| ef:activity/change/20260822T0600486828500000/291698 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v15 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v16 |
| ef:activity/change/20260822T0600486828500000/379195 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v16 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v17 |
| ef:activity/change/20260822T0600486828500000/393872 | properties | ef:agent/normalise_property_values | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v17 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v18 |
| ef:activity/change/20260822T0600486828500000/403081 | types | ef:agent/link_flows_to_their_substance | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v18 | ef:flow/f3c72026-6ce7-4610-a04b-154354d16a36/v19 |