Methacrylylcholine
PubChem CID
78739
Structure
Molecular Formula
Synonyms
- Methacrylylcholine
- 33611-56-2
- trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
- 2-(trimethylammonio)ethyl methacrylate
- AW7U7JQ47Y
Molecular Weight
172.24 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C9H18NO2/c1-8(2)9(11)12-7-6-10(3,4)5/h1,6-7H2,2-5H3/q+1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
USFMMZYROHDWPJ-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(=C)C(=O)OCC[N+](C)(C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H18NO2+
Computed by PubChem 2.2 (PubChem release 2024.11.20)
33611-56-2
Compound: Ethanaminium, N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, homopolymer
- methacrylylcholine
- methacrylylcholine benzenesulfonate
- methacrylylcholine bromide
- methacrylylcholine chloride
- methacrylylcholine iodide
- methacrylylcholine methyl sulfate
- methacrylylcholine monotosylate
- Methacrylylcholine
- 33611-56-2
- trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
- 2-(trimethylammonio)ethyl methacrylate
- AW7U7JQ47Y
- SCHEMBL180003
- CHEMBL3305914
- USFMMZYROHDWPJ-UHFFFAOYSA-
- DTXSID00187305
- 2-trimethylammonioethyl methacrylate
- CHOLINE, METHACRYLATE (ESTER)
- AKOS015895018
- beta methacryloxyethyl trimethyl ammonium
- 2-methacryloyloxyethyl trimethyl ammonium
- beta-methacrylyloxyethyl trimethyl ammonium
- NS00003581
- trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
- N,N,N-Trimethyl-2-((2-methyl-1-oxo-2-propenyl)oxy)ethanaminium
- Ethanaminium, N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-
- InChI=1/C9H18NO2/c1-8(2)9(11)12-7-6-10(3,4)5/h1,6-7H2,2-5H3/q+1
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
172.24 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
1.2
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
172.133753817 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
172.133753817 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
26.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
1
Reference
Computed by PubChem
Property Name
Complexity
Property Value
179
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
1D NMR Spectra
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=USFMMZYROHDWPJ-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Ethanaminium, N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, homopolymerhttps://commonchemistry.cas.org/detail?cas_rn=53184-44-4
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- EPA DSSToxMethacrylylcholinehttps://comptox.epa.gov/dashboard/DTXSID00187305CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking2-(Trimethylammonio)ethyl methacrylatehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/AW7U7JQ47Y
- Japan Chemical Substance Dictionary (Nikkaji)
- NMRShiftDB
- SpectraBase2-Trimethylammonium-ethyl crotonate cationhttps://spectrabase.com/spectrum/JShFnyjLFWx
- WikidataMethacrylylcholinehttps://www.wikidata.org/wiki/Q83058961
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlmethacrylylcholinehttps://www.ncbi.nlm.nih.gov/mesh/67023876
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389455132https://pubchem.ncbi.nlm.nih.gov/substance/389455132
CONTENTS