N-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine
Everything that changed this flow. Back to the flow
b663d0c9-20ca-4caa-a0d8-2e4910e86944
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): 'NE 300' (grade code) |
| 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-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'189253-72-3': []}; assigned CAS labels from group consensus; object_uuid=fo-e3e8986ea9329af5: {'189253-72-3': '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=['189253-72-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[18945537]; selected_pubchem_cids=[18945537]; 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 |
|---|---|---|---|---|---|
| 11,299 | bootstrap_labels | prefLabel | — | [{"@value":"n-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine","@language":"en","source":{"prov:wasGenerate… | Bootstrapped prefLabel from legacy name field |
| 11,300 | bootstrap_labels | name | n-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine | — | Purged legacy name field to enforce prefLabel usage |
| 11,301 | bootstrap_labels | synonyms | ["organic","apmodan","dabcone300"] | [] | Removed legacy synonyms field in favor of structured labels |
| 158,076 | 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) |
| 158,077 | 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) |
| 217,084 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,730 | normalize_name_case | prefLabel | [{"@value":"n-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine","@language":"en","source":{"prov:wasGenerate… | [{"@value":"N-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine","@language":"en","source":{"prov:wasGenerate… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,924 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H25N3O"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,925 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,926 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.400.581J","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['189253-72-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[18945537]; selected_pubchem_cids=[18945537]; 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 |
| 251,404 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H25N3O"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H25N3O"… | rdkit_pre_consensus from 'CN(C)CCOCCN(C)CCCN'; added: molecular_mass, monoisotopic_mass |
| 269,281 | consensus_match | altLabel | [] | [{"@value":"1,3-Propanediamine, <em>N</em>-[2-[2-(dimethylamino)ethoxy]ethyl]-<em>N</em>-methyl-","@language":"en","sou… | group_key=n-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine||dimension=Environmental > media=Water > water_body=Unknown; cas=189253-72-3; added Common Chemistry CAS names as altLabel: 1,3-Propanediamine, <em>N</em>-[2-[2-(dimethylamino)ethoxy]ethyl]-<em>N</em>-methyl-, 1,3-Propanediamine, <em>N</em><sup>1</sup>-[2-[2-(dimethylamino)ethoxy]ethyl]-<em>N</em><sup>1</sup>-methyl-, <em>N</em>,<em>N</em>,<em>N</em>′-Trimethyl-<em>N</em>′-(3-aminopropyl) bis(aminoethyl) ether, <em>N</em>-(3-Aminopropyl)-<em>N</em>,<em>N</em>′,<em>N</em>′-trimethyl-[2,2′-oxybis(ethanamine)], <em>N</em>-[2-(2-Dimethylaminoethoxy)ethyl]-<em>N</em>-methyl-1,3-propanediamine, <em>N</em><sup>1</sup>-[2-[2-(Dimethylamino)ethoxy]ethyl]-<em>N</em><sup>1</sup>-methyl-1,3-propanediamine, Dabco NE 300, Maycat RA 3, N-(3-Aminopropyl)-N,N′,N′-trimethyl-2,2′-oxybis(ethylamine), NE 300; object_uuid=fo-e3e8986ea9329af5 |
| 269,282 | consensus_match | cas_match_labels | — | {"189253-72-3":"exactMatch"} | group_key=n-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'189253-72-3': []}; assigned CAS labels from group consensus; object_uuid=fo-e3e8986ea9329af5: {'189253-72-3': 'exactMatch'} |
| 276,583 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H25N3O"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H25N3O"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-Propanediamine, N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-' |
| 283,202 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H25N3O"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H25N3O"… | rdkit_post_consensus from 'CN(C)CCOCCN(C)CCCN'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,593 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Propanediamine, <em>N</em>-[2-[2-(dimethylamino)ethoxy]ethyl]-<em>N</em>-methyl-","@language":"en","sou… | [{"@value":"1,3-Propanediamine, N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-","@language":"en","source":{"prov:wasGen… | Removed 1 catalogue altLabel value(s): 'NE 300' (grade code) |
| 360,062 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b663d0c9-20ca-… | associations resolved on the elementary layer |
| 390,938 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H25N3O"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H25N3O"… | typed the way the ontology types it |
| 398,768 | 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/20260822T0600486828500000/11299 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v0 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v1 |
| ef:activity/change/20260822T0600486828500000/11300 | name | ef:agent/bootstrap_labels | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v1 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v2 |
| ef:activity/change/20260822T0600486828500000/11301 | synonyms | ef:agent/bootstrap_labels | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v2 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v3 |
| ef:activity/change/20260822T0600486828500000/158076 | context | ef:agent/default_context_mapping | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v3 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v4 |
| ef:activity/change/20260822T0600486828500000/158077 | context_iri | ef:agent/default_context_mapping | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v4 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v5 |
| ef:activity/change/20260822T0600486828500000/217084 | unit_iri | ef:agent/unit_normalization | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v5 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v6 |
| ef:activity/change/20260822T0600486828500000/223730 | prefLabel | ef:agent/normalize_name_case | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v6 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v7 |
| ef:activity/change/20260822T0600486828500000/237924 | properties | ef:agent/enrich_references | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v7 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v8 |
| ef:activity/change/20260822T0600486828500000/237925 | skos_definition | ef:agent/enrich_references | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v8 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v9 |
| ef:activity/change/20260822T0600486828500000/237926 | references | ef:agent/enrich_references | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v9 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v10 |
| ef:activity/change/20260822T0600486828500000/251404 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v10 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v11 |
| ef:activity/change/20260822T0600486828500000/269281 | altLabel | ef:agent/consensus_match | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v11 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v12 |
| ef:activity/change/20260822T0600486828500000/269282 | cas_match_labels | ef:agent/consensus_match | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v12 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v13 |
| ef:activity/change/20260822T0600486828500000/276583 | properties | ef:agent/opsin_iupac | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v13 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v14 |
| ef:activity/change/20260822T0600486828500000/283202 | properties | ef:agent/rdkit_post_consensus | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v14 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v15 |
| ef:activity/change/20260822T0600486828500000/289593 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v15 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v16 |
| ef:activity/change/20260822T0600486828500000/360062 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v16 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v17 |
| ef:activity/change/20260822T0600486828500000/390938 | properties | ef:agent/normalise_property_values | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v17 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v18 |
| ef:activity/change/20260822T0600486828500000/398768 | types | ef:agent/link_flows_to_their_substance | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v18 | ef:flow/b663d0c9-20ca-4caa-a0d8-2e4910e86944/v19 |