3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-n,n-dimethylpropan-1-aminium Chloride
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-7f880305a0c38460
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 15,112 | bootstrap_labels | prefLabel | — | [{"@value":"3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)e… | Bootstrapped prefLabel from legacy name field |
| 15,113 | bootstrap_labels | name | 3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-n,n-di… | — | Purged legacy name field to enforce prefLabel usage |
| 15,114 | bootstrap_labels | synonyms | ["organic","[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl][3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoa… | [] | Removed legacy synonyms field in favor of structured labels |
| 50,523 | 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 |
| 50,524 | 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 |
| 65,095 | 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) |
| 65,096 | 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) |
| 66,735 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 66,736 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 68,001 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 68,002 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 68,387 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 68,388 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 78,911 | 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 |
| 78,912 | 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 |
| 83,679 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 83,680 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 109,937 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 109,938 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 117,509 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 117,510 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 132,083 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 132,084 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 167,327 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 167,328 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 184,879 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 184,880 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 188,483 | 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 |
| 188,484 | 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 |
| 218,320 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,582 | normalize_name_case | prefLabel | [{"@value":"3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)e… | [{"@value":"3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)e… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,461 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,462 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,463 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.071.670","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['78181-99-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[166502, 6441372]; selected_pubchem_cids=[166502]; 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 |
| 252,439 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | rdkit_pre_consensus from 'CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCCC[N+](C)(C)CCOC(=O)C(=CC2=CC=C(C=C2)N(CC)CC)C#N.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 261,839 | consensus_match | altLabel | [] | [{"@value":"1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-<em>N</em>-[2-[[2-cyano-3-… | group_key=3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-n,n-dimethylpropan-1-aminiumchloride||dimension=Environmental > media=Water > water_body=Ocean; cas=78181-99-4; added Common Chemistry CAS names as altLabel: 1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-<em>N</em>-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-<em>N</em>,<em>N</em>-dimethyl-, chloride (1:1), 1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propenyl]oxy]-<em>N</em>-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propenyl]oxy]ethyl]-<em>N</em>,<em>N</em>-dimethyl-, chloride; object_uuid=fo-7f880305a0c38460 |
| 261,840 | consensus_match | cas_match_labels | — | {"78181-99-4":"exactMatch"} | group_key=3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-n,n-dimethylpropan-1-aminiumchloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'78181-99-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7f880305a0c38460: {'78181-99-4': 'exactMatch'} |
| 277,633 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-N-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-N,N-dimethyl-, chloride (1:1)' |
| 284,332 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | rdkit_post_consensus from 'CCN(CC)c1ccc(C=C(C#N)C(=O)OCCC[N+](C)(C)CCOC(=O)C(C#N)=Cc2ccc(N(CC)CC)cc2)cc1.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,820 | dedupe_altlabels | altLabel | [{"@value":"1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-<em>N</em>-[2-[[2-cyano-3-… | [{"@value":"1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-N-[2-[[2-cyano-3-[4-(dieth… | Deduplicated altLabel values and removed entries matching prefLabel |
| 306,329 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/16547afd-2d5c-… | associations resolved on the elementary layer |
| 313,606 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2a3dae32-85c5-… | associations resolved on the elementary layer |
| 314,425 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2ceacfe7-0b75-… | associations resolved on the elementary layer |
| 315,058 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2f218bfd-da36-… | associations resolved on the elementary layer |
| 315,251 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2fc6136d-bcfe-… | associations resolved on the elementary layer |
| 320,509 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3ee27142-0ed7-… | associations resolved on the elementary layer |
| 322,893 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/47427866-01da-… | associations resolved on the elementary layer |
| 336,005 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/650b6d3c-29d0-… | associations resolved on the elementary layer |
| 339,789 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/71cc9d1a-13e6-… | associations resolved on the elementary layer |
| 347,073 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8a500377-6f4b-… | associations resolved on the elementary layer |