3-(N,N-Dimethyloctadecylammonio)propanesulfonate

Inquiry

Molecular Formula:

C23H49NO3S

Molecular Weight:

419.71

CAS Number:

13177-41-8

Catalog Number:

13177-41-8

Product Information

Molecular Formula:

C23H49NO3S

Molecular Weight:

419.71

Description

3-(N,N-Dimethylmyristylammonio)propanesulfonate has been used in a study to assess a method for quantifying perchlorate in biological samples using CE and capacitively coupled contactless conductivity detection. It has also been used in a study to investigate an approach for establishing adsorbents for elimination of water-soluble organic dyes.

Synonyms

3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate

IUPAC Name

3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate

Canonical SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C23H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27/h4-23H2,1-3H3

InChI Key

DIROHOMJLWMERM-UHFFFAOYSA-N

Melting Point

257-260 °C (dec.)(lit.)

Flash Point

230 °F

Purity

> 97.0 % (N)

Appearance

White powder

Storage

Inert atmosphere, Room Temperature

LogP

7.34040

Safety Information

Hazards

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

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

8.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

419.34331560 g/mol

Monoisotopic Mass

419.34331560 g/mol

Topological Polar Surface Area

65.6Å²

Heavy Atom Count

Formal Charge

Complexity

416

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-2021248254-A2	Pharmacotherapeutic doses of hesperidin or related bioflavonoids to adress infectious and/or inflammatory diseases	2020-10-09
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US-2022064266-A1	Cleaving pre-fusion state sars-cov-2 spike protein	2020-08-25
WO-2022022660-A1	Anti-pd-1 antibody pharmaceutical composition and use thereof	2020-07-31
CN-113975385-A	Novel bispecific anti-CD 3/CD20 polypeptide complex formulations	2020-07-27
WO-2022022464-A1	Novel bispecific anti-cd3/cd20 polypeptide complex formulation	2020-07-27
WO-2022015935-A2	Subcutaneous telomerase inhibitor compositions and methods for using same	2020-07-17
WO-2022006565-A1	Polypeptides, vaccine compositions, and use thereof for inducing immune response to sars-cov-2 in primates	2020-07-03
KR-20220001482-A	FORMULATION FOR ANTI-FcRn ANTIBODY	2020-06-29
US-2021403599-A1	Pertuzumab plus trastuzumab fixed dose combination	2020-06-29

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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