2-(methacryloyloxyethyl)-2'-((trimethylammonium)ethyl)phosphate
fo-c7dc6dbb86a14893
Identity
- Type
- Zwitterion
- CAS
- 67881-98-5
- EC
- 417-560-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
9- 2-(2-Methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate
- 2-(Methacryloyloxy)ethyl 2-(trimethylammonio)ethyl phosphate
- 2-(Methacryloyloxy)ethyl 2′-(trimethylammonio)ethyl phosphate
- 2-Methacryloyloxyethyl phosphatidylcholine
- 2-Methacryloyloxyethyl phosphoryl choline
- 2-Methacryloyloxyethyl phosphorylcholine
- 2-Methylacryloyloxyethyl phosphorylcholine
- 3,5,8-Trioxa-4-phosphaundec-10-en-1-aminium, 4-hydroxy-N,N,N,10-tetramethyl-9-oxo-, inner salt, 4-oxide
- MPC
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ZSZRUEAFVQITHH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H22NO6P/c1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5/h1,6-9H2,2-5H3 |
| IUPAC name chemrof:IUPAC_name | 2-(2-methyl-1-oxoprop-2-enoxy)ethyl 2-(trimethylammonio)ethyl phosphate, 2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylammonio)ethyl phosphate, 2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate, 2-methacryloyloxyethyl 2-(trimethylammonio)ethyl phosphate |
| Molecular formula chemrof:molecular_formula | C11H22NO6P |
| Molecular mass chemrof:molecular_mass | 295.272 |
| Monoisotopic mass chemrof:monoisotopic_mass | 295.118474 |
| SMILES string chemrof:smiles_string | CC(=C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C |
Known URLs
10Where 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=67881-98-5 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=67881-99-6 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.101.643 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID20936115 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/59RU860S8D | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0247194 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J532.632J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/128934 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/2584546 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27261717 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9330e956-1a58-4a87-be36-55a27a2eb593 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 5f1c6480-8b9a-46e6-b520-758352cbdf2f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 68cfcccc-39cd-4608-852d-3a60b149f711 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 472ed83c-e39c-41c9-98e7-4a35772e0494 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5be8bd54-8f0b-4a33-b90e-d563398fbbac | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 04796be9-c4bc-4bf2-a4c8-db881b3f3973 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 20a9a261-9788-47ce-a210-57ca14f4a741 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 280059d4-6bd3-4c74-9357-1d8f63c10738 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 89def3c0-5e74-444d-9355-abd6fde4ba04 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6e1d9989-ea68-45e1-b3a5-423363771540 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c949c0d4-2d64-466a-bced-fea640216b2e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b85b9f75-5a32-4b70-906c-70fb802808e4 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 003d9fd5-6eb8-4729-9e86-04c0f61f3b85 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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"https://echa.europa.eu/search-for-chemicals?query=417-560-0"
],
"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/Zwitterion"
]
}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