Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride
fo-f97767ac6ecece90
Identity
- Type
- Chemical salt
- CAS
- 44992-01-0
- EC
- 256-176-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
25- (Trimethylammonio)ethyl acrylate chloride
- 2-(Acryloyloxy)-N,N,N-trimethylethanaminium chloride
- 2-(Dimethylamino)ethyl acrylate methochloride
- 2-(N,N-Dimethylamino)ethyl acrylate methyl chloride
- 2-Trimethylammonioethyl acrylate chloride
- 2-Trimethylammoniumethyl acrylate chloride
- [2-(Acryloyloxy)ethyl]trimethylammonium chloride
- Acryloxyethyltrimethylammonium chloride
- Acryloxyethyltrimethylammonuim chloride
- Acryloyloxyethyltrimethylammonium chloride
- ADAME-Q
- ADAME-Quat
- Adamquat MC 75
- Adamquat MC 80
- Ageflex FA 1Q80MC
- Ageflex FA 1Q80MC500
- Aron DA-C
- Dimethylaminoethyl acrylate methyl chloride
- Dimethylaminoethyl acrylate methyl chloride quaternary salt
- DMA-MC
- DMAEA-Q
- DME-B
- Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)
- Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride
- N-(2-Acryloyloxyethyl)-N,N,N-trimethylammonium chloride
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FZGFBJMPSHGTRQ-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H16NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1 |
| IUPAC name chemrof:IUPAC_name | Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride |
| Molecular formula chemrof:molecular_formula | C8H16ClNO2 |
| Molecular mass chemrof:molecular_mass | 193.674 |
| Monoisotopic mass chemrof:monoisotopic_mass | 193.086956 |
| SMILES string chemrof:smiles_string | C=CC(=O)OCC[N+](C)(C)C.[Cl-] |
Known URLs
8Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=44992-01-0 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=54076-97-0 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.051.052 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2028016 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186850 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2VO170W0XM | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/162071 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27255661 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c6d8609a-76e2-43fa-9c83-768071a54a55 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 5fe55f8c-87c2-4086-b9f4-e42e9caefc21 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 0e97fd12-ca15-4312-959c-31b8b2b3d729 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d503b8f2-fbe5-4f00-b421-7aa9b348d2a7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5e3bb35a-ea49-4636-9765-904c253327d3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| d3958854-e28a-47ff-ae2c-f474e7d27ac4 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 0701d51d-7a90-4922-bb81-a7a0c18ced46 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 13dba143-73fe-47b8-bc6c-8edf715b1669 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e8bf1fac-a5d0-4e06-bfa8-a58142f10473 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 7dbe70f9-e631-470a-a622-882624d9c7a3 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a7d80362-d40c-4187-ab58-e8ffd2561299 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ba70fe77-e635-4547-b145-8fc10ad50d1d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 0ac6e8fa-2fd7-4887-b96d-35aa4bab4f7d | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-f97767ac6ecece90",
"prefLabel": [
{
"@value": "Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "(Trimethylammonio)ethyl acrylate chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(Acryloyloxy)-N,N,N-trimethylethanaminium chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(Dimethylamino)ethyl acrylate methochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(N,N-Dimethylamino)ethyl acrylate methyl chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Trimethylammonioethyl acrylate chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Trimethylammoniumethyl acrylate chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "[2-(Acryloyloxy)ethyl]trimethylammonium chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acryloxyethyltrimethylammonium chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acryloxyethyltrimethylammonuim chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acryloyloxyethyltrimethylammonium chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ADAME-Q",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ADAME-Quat",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Adamquat MC 75",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Adamquat MC 80",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ageflex FA 1Q80MC",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ageflex FA 1Q80MC500",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aron DA-C",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethylaminoethyl acrylate methyl chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethylaminoethyl acrylate methyl chloride quaternary salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DMA-MC",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DMAEA-Q",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DME-B",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(2-Acryloyloxyethyl)-N,N,N-trimethylammonium chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:44992-01-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H16ClNO2"
],
"attested_by": {
"C8H16ClNO2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162071"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC[N+](C)(C)C.[Cl-]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FZGFBJMPSHGTRQ-UHFFFAOYSA-M"
],
"attested_by": {
"FZGFBJMPSHGTRQ-UHFFFAOYSA-M": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162071"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC[N+](C)(C)C.[Cl-]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=CC(=O)OCC[N+](C)(C)C.[Cl-]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC[N+](C)(C)C.[Cl-]"
]
}
],
"attested_by": {
"C=CC(=O)OCC[N+](C)(C)C.[Cl-]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C8H16NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC[N+](C)(C)C.[Cl-]"
]
}
],
"attested_by": {
"InChI=1S/C8H16NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride"
]
},
"attested_by": {
"Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
193.674
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[N+](C)(C)CCOC(=O)C=C.[Cl-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC[N+](C)(C)C.[Cl-]"
]
}
],
"attested_by": {
"193.674": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
193.086956
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[N+](C)(C)CCOC(=O)C=C.[Cl-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC[N+](C)(C)C.[Cl-]"
]
}
],
"attested_by": {
"193.086956": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.051.052",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162071;CAS:44992-01-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[44992-01-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=44992-01-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"44992-01-0"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=54076-97-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162071;CAS:44992-01-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[44992-01-0]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID2028016",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162071;CAS:44992-01-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[44992-01-0]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2VO170W0XM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162071;CAS:44992-01-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[44992-01-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/162071",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162071;CAS:44992-01-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[44992-01-0]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186850",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162071;CAS:44992-01-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[44992-01-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27255661",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162071;CAS:44992-01-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[44992-01-0]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0701d51d-7a90-4922-bb81-a7a0c18ced46",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"44992-01-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=44992-01-0"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"256-176-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=256-176-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works