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4-[(3-Methacrylamidopropyl)dimethylammonio]butane-1-sulfonate

4-[(3-Methacrylamidopropyl)dimethylammonio]butane-1-sulfonate

Inquiry

Molecular Formula:

C13H26N2O4S

Molecular Weight:

306.42

CAS Number:

83623-32-9

Catalog Number:

83623-32-9

Product Information

Molecular Formula:

C13H26N2O4S

Molecular Weight:

306.42

Description

4-[(3-Methacrylamidopropyl)dimethylammonio]butane-1-sulfonate is a complex molecule widely used in biomedical research as a potential medicinal chemistry candidate for a variety of diseases, such as malignancy, inflammation, and cardiovascular dysfunction. The product has broad prospects. .

Synonyms

4-[[3-(Methacryloylamino)propyl](dimethyl)ammonio]-1-butanesulfonate

IUPAC Name

4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate

Canonical SMILES

CC(=C)C(=O)NCCC[N+](C)(C)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H26N2O4S/c1-12(2)13(16)14-8-7-10-15(3,4)9-5-6-11-20(17,18)19/h1,5-11H2,2-4H3,(H-,14,16,17,18,19)

InChI Key

YVECQSLRWYXZTR-UHFFFAOYSA-N

Purity

>98.0%(HPLC)(N)

Appearance

White to Almost white powder to crystaline

Storage

0-10°C

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

0.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

306.16132849 g/mol

Monoisotopic Mass

306.16132849 g/mol

Topological Polar Surface Area

94.7Å²

Heavy Atom Count

Formal Charge

Complexity

411

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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
WO-2021099060-A1	Method for preparing an inverse emulsion comprising two cationic polymers	2019-11-19
WO-2020245517-A1	Method for preparing structured polymers in powder form by the gel process	2019-06-05
WO-2020229757-A1	Novel process for filtering 2-acrylamido-2-methylpropane sulfonic acid	2019-05-15
DE-112020002390-T5	NEW PROCESS FOR FILTRATION OF 2-ACRYLAMIDO-2-METHYLPROPANE SULFONIC ACID	2019-05-15
KR-20220009429-A	Novel process for filtering 2-acrylamido-2-methylpropane sulfonic acid	2019-05-15
WO-2020157429-A1	Method for modifying the water permeability of a subterranean formation	2019-02-01
WO-2020157430-A1	Method for modifying the water permeability of a subterranean formation	2019-02-01
US-2021362529-A1	Lithographic printing plate precursor, method of preparing lithographic printing plate, and lithographic printing method	2019-01-31
WO-2020127568-A1	Method for treating suspensions of solid particles in water using amphoteric polymers	2018-12-20

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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