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[3-(Methacryloylamino)propyl]dimethyl(3-sulfopropyl)ammonium hydroxide inner salt

[3-(Methacryloylamino)propyl]dimethyl(3-sulfopropyl)ammonium hydroxide inner salt

Inquiry

Molecular Formula:

C12H24N2O4S

Molecular Weight:

292.39

CAS Number:

5205-95-8

Catalog Number:

5205-95-8

Product Information

Molecular Formula:

C12H24N2O4S

Molecular Weight:

292.39

Description

Polar water-soluble monomer. Zwitterionic detergent and crosslinker.

Synonyms

5205-95-8;3-(dimethyl{3-[(2-methylacryloyl)amino]propyl}ammonio)propane-1-sulfonate;[3-(Methacryloylamino)propyl]dimethyl(3-sulfopropyl)ammoniumhydroxideinnersalt;N-(3-Sulfopropyl)-N-methacryloylamidopropyl-N,N-dimethylammoniumbetaine;EINECS226-003-9;SCHEMBL35104

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C12H24N2O4S/c1-11(2)12(15)13-7-5-8-14(3,4)9-6-10-19(16,17)18/h1,5-10H2,2-4H3,(H-,13,15,16,17,18)

InChI Key

OIETYYKGJGVJFT-UHFFFAOYSA-N

Melting Point

190 °C (dec.)(lit.)

Purity

98 %

Appearance

White to almost white powder to crystal

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].

QC Data

HNMR

Computed Properties

XLogP3

0.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

292.14567842 g/mol

Monoisotopic Mass

292.14567842 g/mol

Topological Polar Surface Area

94.7Å²

Heavy Atom Count

Formal Charge

Complexity

397

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

The molarity calculator equation

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

Mass

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Volume

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)