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3-[Bis[2-(methacryloyloxy)ethyl](methyl)ammonio]propane-1-sulfonate

3-[Bis[2-(methacryloyloxy)ethyl](methyl)ammonio]propane-1-sulfonate

Inquiry

Molecular Formula:

C16H27NO7S

Molecular Weight:

377.45

CAS Number:

1314713-40-0

Catalog Number:

1314713-40-0

Product Information

Molecular Formula:

C16H27NO7S

Molecular Weight:

377.45

Description

As a common sulfonate compound, 3-[Bis[2-(methacryloyloxy)ethyl](methyl)ammonio]propane-1-sulfonate has multiple applications in drug delivery systems, especially in disease-specific drug development.

Synonyms

3-[Bis[2-(methacryloyloxy)ethyl](methyl)ammonio]-1-propanesulfonate

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C16H27NO7S/c1-13(2)15(18)23-10-8-17(5,7-6-12-25(20,21)22)9-11-24-16(19)14(3)4/h1,3,6-12H2,2,4-5H3

InChI Key

OFRYGBGGBLFQNQ-UHFFFAOYSA-N

Purity

>95.0%(T)(HPLC)

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

1.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

377.15082337 g/mol

Monoisotopic Mass

377.15082337 g/mol

Topological Polar Surface Area

118Å²

Heavy Atom Count

Formal Charge

Complexity

559

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
US-2019329187-A1	Affinity polymers and methods for reducing purine levels in complex mixtures	2018-04-30

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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