Consensus flow list

Trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azanium Chloride

fo-9cbc24e5ade40e07

Identity

Type
Chemical salt
CAS
5039-78-1
EC
225-733-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azanium Chloride

Alternative labels

40

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RRHXZLALVWBDKH-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C9H18NO2.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name Trimethyl((2-[(2-methylprop-2-enoyl)oxy]ethyl))azanium Chloride
Molecular formula chemrof:molecular_formula C9H18ClNO2
Molecular mass chemrof:molecular_mass 207.701
Monoisotopic mass chemrof:monoisotopic_mass 207.102606
SMILES string chemrof:smiles_string C=C(C)C(=O)OCC[N+](C)(C)C.[Cl-]

Known URLs

8

Where 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=26161-33-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=5039-78-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.394 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027586 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187310 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PP88R88K3O enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/78738 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27286691 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e368bcda-117b-47fc-bf3e-350e63bd25ff Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fdb32264-0133-4eb2-8d95-76ecec980593 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4ec9f502-054e-4fd4-90b5-89e9f1bd699b Environmental → Air → Indoor EF 3.1 kg 2
e6076981-c274-40ba-b04c-c21d9e5920e0 Environmental → Air → Long-term EF 3.1 kg 0
0c28ffe3-813d-4529-81ca-6450443fb89a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ae70f8a0-e2db-44f6-84a5-471b8ea86c65 Environmental → Air → Unknown EF 3.1 kg 2
212dbb37-4c67-4deb-bbdc-4b852eec00b4 Environmental → Ground → Agricultural EF 3.1 kg 2
bc5a0bd8-65a5-4715-87d5-f9f28314948b Environmental → Ground → Non-agricultural EF 3.1 kg 2
848af154-9180-4354-96a8-2128f6262523 Environmental → Ground → Unknown EF 3.1 kg 2
22565b6b-7cd8-4a5c-9ae1-83a8e7615d6b Environmental → Water → Long-term EF 3.1 kg 0
308fa30a-f03e-4a49-b7c7-aefb373903d8 Environmental → Water → Ocean EF 3.1 kg 2
3a0d8d2d-758b-4f59-9d10-8b10df327001 Environmental → Water → Surface water EF 3.1 kg 2
41d44bd9-f633-4a96-b84f-63c75869ceb6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "Methacrylatoethyl trimethyl ammonium chloride",
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      "@value": "Methacryloylethyltrimethylammonium chloride",
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      "@value": "QDM",
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