1,3-propanediamine, N1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-
Everything that changed this flow. Back to the flow
d67f66e5-63b6-42cf-98ba-9c3decaf5fb1
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): 'Maycat 809' (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=1,3-propanediamine,n1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'33329-35-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1c5ea1388e5639f2: {'33329-35-0': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['33329-35-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[118456]; selected_pubchem_cids=[118456]; 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 |
|---|---|---|---|---|---|
| 1,735 | bootstrap_labels | prefLabel | — | [{"@value":"1,3-propanediamine, n1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-","@language":"en","source":{"prov:wa… | Bootstrapped prefLabel from legacy name field |
| 1,736 | bootstrap_labels | name | 1,3-propanediamine, n1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl- | — | Purged legacy name field to enforce prefLabel usage |
| 1,737 | bootstrap_labels | synonyms | ["organic","n,n-bis[3-(dimethylamino)propyl]-n'",",n'","-dimethylpropane-1,3-diamine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 176,816 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 176,817 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 213,917 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,495 | normalize_name_case | prefLabel | [{"@value":"1,3-propanediamine, n1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-","@language":"en","source":{"prov:wa… | [{"@value":"1,3-propanediamine, N1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-","@language":"en","source":{"prov:wa… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,849 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H36N4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,850 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,851 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.098J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['33329-35-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[118456]; selected_pubchem_cids=[118456]; 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 |
| 248,797 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H36N4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H36N4"]… | rdkit_pre_consensus from 'CN(C)CCCN(CCCN(C)C)CCCN(C)C'; added: molecular_mass, monoisotopic_mass |
| 258,620 | consensus_match | altLabel | [] | [{"@value":"1,3-Propanediamine, <em>N</em>,<em>N</em>-bis[3-(dimethylamino)propyl]-<em>N</em>′,<em>N</em>′-dimethyl-","… | group_key=1,3-propanediamine,n1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-||dimension=Environmental > media=Water > water_body=Surface water; cas=33329-35-0; added Common Chemistry CAS names as altLabel: 1,3-Propanediamine, <em>N</em>,<em>N</em>-bis[3-(dimethylamino)propyl]-<em>N</em>′,<em>N</em>′-dimethyl-, 1,3-Propanediamine, <em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-bis[3-(dimethylamino)propyl]-<em>N</em><sup>3</sup>,<em>N</em><sup>3</sup>-dimethyl-, <em>N</em>,<em>N</em>-Bis[3-(dimethylamino)propyl]-<em>N</em>′,<em>N</em>′-dimethyl-1,3-propanediamine, <em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-Bis[3-(dimethylamino)propyl]-<em>N</em><sup>3</sup>,<em>N</em><sup>3</sup>-dimethyl-1,3-propanediamine, Jeffadd MW 760, Jeffcat Z 80, Maycat 809, Polycat 34, Tripropylamine, 3,3′,3′′-tris(dimethylamino)-, Tris(<em>N</em>,<em>N</em>-dimethylaminopropyl)amine, Tris[3-(Dimethylamino)propyl]amine; object_uuid=fo-1c5ea1388e5639f2 |
| 258,621 | consensus_match | cas_match_labels | — | {"33329-35-0":"exactMatch"} | group_key=1,3-propanediamine,n1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'33329-35-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1c5ea1388e5639f2: {'33329-35-0': 'exactMatch'} |
| 273,917 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H36N4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H36N4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-' |
| 280,310 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H36N4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H36N4"]… | rdkit_post_consensus from 'CN(C)CCCN(CCCN(C)C)CCCN(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,592 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Propanediamine, <em>N</em>,<em>N</em>-bis[3-(dimethylamino)propyl]-<em>N</em>′,<em>N</em>′-dimethyl-","… | [{"@value":"1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-","@language":"en","source":{"prov:wasG… | Removed 1 catalogue altLabel value(s): 'Maycat 809' (trade name) |
| 369,424 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d67f66e5-63b6-… | associations resolved on the elementary layer |
| 388,200 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H36N4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H36N4"]… | typed the way the ontology types it |
| 394,837 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260820T1812399309960000/1735 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v0 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v1 |
| ef:activity/change/20260820T1812399309960000/1736 | name | ef:agent/bootstrap_labels | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v1 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v2 |
| ef:activity/change/20260820T1812399309960000/1737 | synonyms | ef:agent/bootstrap_labels | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v2 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v3 |
| ef:activity/change/20260820T1812399309960000/176816 | context | ef:agent/default_context_mapping | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v3 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v4 |
| ef:activity/change/20260820T1812399309960000/176817 | context_iri | ef:agent/default_context_mapping | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v4 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v5 |
| ef:activity/change/20260820T1812399309960000/213917 | unit_iri | ef:agent/unit_normalization | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v5 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v6 |
| ef:activity/change/20260820T1812399309960000/221495 | prefLabel | ef:agent/normalize_name_case | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v6 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v7 |
| ef:activity/change/20260820T1812399309960000/228849 | properties | ef:agent/enrich_references | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v7 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v8 |
| ef:activity/change/20260820T1812399309960000/228850 | skos_definition | ef:agent/enrich_references | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v8 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v9 |
| ef:activity/change/20260820T1812399309960000/228851 | references | ef:agent/enrich_references | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v9 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v10 |
| ef:activity/change/20260820T1812399309960000/248797 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v10 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v11 |
| ef:activity/change/20260820T1812399309960000/258620 | altLabel | ef:agent/consensus_match | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v11 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v12 |
| ef:activity/change/20260820T1812399309960000/258621 | cas_match_labels | ef:agent/consensus_match | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v12 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v13 |
| ef:activity/change/20260820T1812399309960000/273917 | properties | ef:agent/opsin_iupac | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v13 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v14 |
| ef:activity/change/20260820T1812399309960000/280310 | properties | ef:agent/rdkit_post_consensus | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v14 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v15 |
| ef:activity/change/20260820T1812399309960000/287592 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v15 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v16 |
| ef:activity/change/20260820T1812399309960000/369424 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v16 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v17 |
| ef:activity/change/20260820T1812399309960000/388200 | properties | ef:agent/normalise_property_values | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v17 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v18 |
| ef:activity/change/20260820T1812399309960000/394837 | types | ef:agent/link_flows_to_their_substance | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v18 | ef:flow/d67f66e5-63b6-42cf-98ba-9c3decaf5fb1/v19 |