4,4'-methylenebisbenzenamine Dihydrochloride
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9adf-0050c2490048
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=4,4'-methylenebisbenzenaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13552-44-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1728d9aa23ddbc60: {'13552-44-8': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['13552-44-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[7577, 26108, 517012, 21219305]; selected_pubchem_cids=[26108]; 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 |
|---|---|---|---|---|---|
| 6,844 | bootstrap_labels | prefLabel | — | [{"@value":"4,4'-methylenebisbenzenamine dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 6,845 | bootstrap_labels | name | 4,4'-methylenebisbenzenamine dihydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 6,846 | bootstrap_labels | synonyms | ["4,4'-DIAMINODIPHENYLMETHANE","4,4'-DiaminodiPhenyl-Methane","4,4'-Diaminodiphenylmethan","4,4'-Dimethylenediamine","4… | [] | Removed legacy synonyms field in favor of structured labels |
| 37,440 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 37,441 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,623 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,666 | normalize_name_case | prefLabel | [{"@value":"4,4'-methylenebisbenzenamine dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"4,4'-methylenebisbenzenamine Dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,746 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H16Cl2N… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,747 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,748 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.033.562","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['13552-44-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[7577, 26108, 517012, 21219305]; selected_pubchem_cids=[26108]; 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 |
| 250,209 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H16Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H16Cl2N… | rdkit_pre_consensus from 'C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl'; added: molecular_mass, monoisotopic_mass |
| 262,346 | consensus_match | altLabel | [] | [{"@value":"4,4′-Diaminodiphenylmethane dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | group_key=4,4'-methylenebisbenzenaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; cas=13552-44-8; added Common Chemistry CAS names as altLabel: 4,4′-Diaminodiphenylmethane dihydrochloride, 4,4′-Methylenedianiline dihydrochloride, <em>p</em>,<em>p</em>′-Methylenedianiline dihydrochloride, Aniline, 4,4′-methylenedi-, dihydrochloride, Benzenamine, 4,4′-methylenebis-, dihydrochloride, Benzenamine, 4,4′-methylenebis-, hydrochloride (1:2); object_uuid=fo-1728d9aa23ddbc60 |
| 262,347 | consensus_match | cas_match_labels | — | {"13552-44-8":"exactMatch"} | group_key=4,4'-methylenebisbenzenaminedihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13552-44-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1728d9aa23ddbc60: {'13552-44-8': 'exactMatch'} |
| 275,351 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H16Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H16Cl2N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4,4'-methylenebisbenzenamine Dihydrochloride' |
| 281,861 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H16Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H16Cl2N… | rdkit_post_consensus from 'Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,336 | dedupe_altlabels | altLabel | [{"@value":"4,4′-Diaminodiphenylmethane dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | [{"@value":"4,4′-Diaminodiphenylmethane dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | Deduplicated altLabel values and removed entries matching prefLabel |
| 299,746 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 389,654 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H16Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H16Cl2N… | typed the way the ontology types it |
| 396,897 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260821T1302361922970000/6844 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v1 |
| ef:activity/change/20260821T1302361922970000/6845 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v2 |
| ef:activity/change/20260821T1302361922970000/6846 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v3 |
| ef:activity/change/20260821T1302361922970000/37440 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v4 |
| ef:activity/change/20260821T1302361922970000/37441 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v5 |
| ef:activity/change/20260821T1302361922970000/215623 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v6 |
| ef:activity/change/20260821T1302361922970000/222666 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v7 |
| ef:activity/change/20260821T1302361922970000/233746 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v8 |
| ef:activity/change/20260821T1302361922970000/233747 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v9 |
| ef:activity/change/20260821T1302361922970000/233748 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v10 |
| ef:activity/change/20260821T1302361922970000/250209 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v11 |
| ef:activity/change/20260821T1302361922970000/262346 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v12 |
| ef:activity/change/20260821T1302361922970000/262347 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v13 |
| ef:activity/change/20260821T1302361922970000/275351 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v14 |
| ef:activity/change/20260821T1302361922970000/281861 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v15 |
| ef:activity/change/20260821T1302361922970000/292336 | altLabel | ef:agent/dedupe_altlabels | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v16 |
| ef:activity/change/20260821T1302361922970000/299746 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v17 |
| ef:activity/change/20260821T1302361922970000/389654 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v18 |
| ef:activity/change/20260821T1302361922970000/396897 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9adf-0050c2490048/v19 |