3-[Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate

Product Information

Molecular Formula:
C11H21NO5S
Molecular Weight:
279.35
Description
3-[Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate, an innovative pharmaceutical compound, plays a pivotal role in addressing a myriad of diseases by selectively modulating intricate cellular mechanisms. As an effective antagonist of key enzymes involved in the pathogenesis of malignant tumors, it is widely used in antimicrobial drug development.
Synonyms
SPE; N-(3-SULFOPROPYL)-N-METHACROYLOXYETHYL-N,N-DIMETHYL-AMMONIUM BETAINE; N-(3-SULFOPROPYL)-N-(METHACRYLOXYETHYL)-N,N-DIMETHYLAMMONIUM BETAINE; N-(2-METHACRYLOYLOXYETHYL)-N,N-DIMETHYL-N-(3-SULFOPROPYL)AMMONIUM BETAINE; N,N-DIMETHYL-N-(2-METHACRYLOLOXYETHYL)
IUPAC Name
3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate
Canonical SMILES
CC(=C)C(=O)OCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI
InChI=1S/C11H21NO5S/c1-10(2)11(13)17-8-7-12(3,4)6-5-9-18(14,15)16/h1,5-9H2,2-4H3
InChI Key
BCAIDFOKQCVACE-UHFFFAOYSA-N
Melting Point
150-155ºC
Flash Point
>110°C
Purity
95%
Density
g/cm3
Appearance
White Powder, Crystals or Crystalline Powder
Storage
Store below +30°C.

Computed Properties

XLogP3
0.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
8
Exact Mass
279.11404394 g/mol
Monoisotopic Mass
279.11404394 g/mol
Topological Polar Surface Area
91.9Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
381
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022053752-A1 Polymer of 2-acrylamido-2-methylpropane sulfonic acid or the salts thereof 2020-09-11
US-2022031914-A1 Antimicrobial Coatings 2020-07-30
US-2021371597-A1 Photocurable resin for high-resolution 3-d printing 2020-05-27
WO-2021207956-A1 Use of coating compositions for making a substrate frost resistant, compositions and methods useful therefor 2020-04-15
KR-20210109471-A Treatment method to remove oil from wastewater 2020-02-27
WO-2021168511-A1 A microfluidic device for investigating interactions of substances with cells 2020-02-25
EP-3838387-A1 Polymer additive comprising zwitterionic moieties for pvdf based membranes 2019-12-19
EP-3838388-A1 Polymer additive comprising zwitterionic moieties for vinylidene fluoride polymer based membranes 2019-12-19
WO-2021122628-A1 Polymer additive comprising zwitterionic moieties for pvdf based membranes 2019-12-19
WO-2021122631-A1 Polymer additive comprising zwitterionic moieties for vinylidene fluoride polymer based membranes 2019-12-19
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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