2,4,5-trimethylaniline Hydrochloride
Everything that changed this flow. Back to the flow
3e4cb44e-6556-11dd-ad8b-0800200c9a66
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=2,4,5-trimethylanilinehydrochloride||dimension=Environmental > media=Water > water_body=Ocean; cas=21436-97-5; added Common Chemistry CAS names as altLabel: Aniline, 2,4,5-trimethyl-, hydrochloride, Benzenamine, 2,4,5-trimethyl-, hydrochloride, Benzenamine, 2,4,5-trimethyl-, hydrochloride (1:1), Pseudocumidine hydrochloride; object_uuid=fo-28169133a2705894 |
| cas_match_labels | 1 | consensus_match | group_key=2,4,5-trimethylanilinehydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'21436-97-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-28169133a2705894: {'21436-97-5': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['21436-97-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[30628, 5284470]; selected_pubchem_cids=[30628, 5284470]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,771 | bootstrap_labels | prefLabel | — | [{"@value":"2,4,5-trimethylaniline hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 6,772 | bootstrap_labels | name | 2,4,5-trimethylaniline hydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 6,773 | bootstrap_labels | synonyms | [".psi.-Cumidine","1,2,4-Trimethyl-5-aminobenzene","1-Amino-2,4,5-trimethylbenzene","2,4,5-TRIMETHYLANILINE","2,4,5-Tri… | [] | Removed legacy synonyms field in favor of structured labels |
| 77,821 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 77,822 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 215,602 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,652 | normalize_name_case | prefLabel | [{"@value":"2,4,5-trimethylaniline hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"2,4,5-trimethylaniline Hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,679 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClN"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 233,680 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,681 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=21436-97-5","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['21436-97-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[30628, 5284470]; selected_pubchem_cids=[30628, 5284470]; 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 |
| 250,196 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClN"]… | rdkit_pre_consensus from 'CC1=CC(=C(C=C1C)N)C.Cl'; added: molecular_mass, monoisotopic_mass |
| 259,848 | consensus_match | altLabel | [] | [{"@value":"Aniline, 2,4,5-trimethyl-, hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=2,4,5-trimethylanilinehydrochloride||dimension=Environmental > media=Water > water_body=Ocean; cas=21436-97-5; added Common Chemistry CAS names as altLabel: Aniline, 2,4,5-trimethyl-, hydrochloride, Benzenamine, 2,4,5-trimethyl-, hydrochloride, Benzenamine, 2,4,5-trimethyl-, hydrochloride (1:1), Pseudocumidine hydrochloride; object_uuid=fo-28169133a2705894 |
| 259,849 | consensus_match | cas_match_labels | — | {"21436-97-5":"exactMatch"} | group_key=2,4,5-trimethylanilinehydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'21436-97-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-28169133a2705894: {'21436-97-5': 'exactMatch'} |
| 275,333 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClN"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4,5-trimethylaniline Hydrochloride' |
| 281,843 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClN"]… | rdkit_post_consensus from 'Cc1cc(C)c(N)cc1C.Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 319,962 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3e4cb44e-6556-… | associations resolved on the elementary layer |
| 389,661 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClN"]… | typed the way the ontology types it |
| 396,893 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260920T1042228874600000/6771 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260920T1042228874600000/6772 | name | ef:agent/bootstrap_labels | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260920T1042228874600000/6773 | synonyms | ef:agent/bootstrap_labels | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260920T1042228874600000/77821 | context | ef:agent/default_context_mapping | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260920T1042228874600000/77822 | context_iri | ef:agent/default_context_mapping | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260920T1042228874600000/215602 | unit_iri | ef:agent/unit_normalization | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260920T1042228874600000/222652 | prefLabel | ef:agent/normalize_name_case | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260920T1042228874600000/233679 | properties | ef:agent/enrich_references | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260920T1042228874600000/233680 | skos_definition | ef:agent/enrich_references | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260920T1042228874600000/233681 | references | ef:agent/enrich_references | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260920T1042228874600000/250196 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260920T1042228874600000/259848 | altLabel | ef:agent/consensus_match | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260920T1042228874600000/259849 | cas_match_labels | ef:agent/consensus_match | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260920T1042228874600000/275333 | properties | ef:agent/opsin_iupac | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260920T1042228874600000/281843 | properties | ef:agent/rdkit_post_consensus | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260920T1042228874600000/319962 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260920T1042228874600000/389661 | properties | ef:agent/normalise_property_values | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260920T1042228874600000/396893 | types | ef:agent/link_flows_to_their_substance | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/3e4cb44e-6556-11dd-ad8b-0800200c9a66/v18 |