3-(N,N-Dimethyloctadecylammonio)propanesulfonate
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
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.
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
20
Exact Mass
419.34331560 g/mol
Monoisotopic Mass
419.34331560 g/mol
Topological Polar Surface Area
65.6Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
416
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-2021248254-A2 | Pharmacotherapeutic doses of hesperidin or related bioflavonoids to adress infectious and/or inflammatory diseases | 2020-10-09 |
| WO-2022056200-A1 | Methods and compositions for potentiating antitumoral immune responses through targeting of ntpdase3 | 2020-09-10 |
| 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 |
