3-(N,N-Dimethylpalmitylammonio)propanesulfonate - ≥98% , CAS No.2281-11-0

CAS: 2281-11-0 Cat. No.: D105325 Molecular Weight: 391.65 Beilstein Registry Number: 4149854 EC Number: 218-918-7

GRADE & PURITY ≥98%

Synonyms

SB3-16 | Sulfobetaine 16 | N-hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate | 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt | SB83690 | TUBRCQBRKJXJEA-UHFFFAOYSA-N | 1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, in

Storage

Room temperature

Shipped In

Normal

Overview

3-(N,N-Dimethylpalmitylammonio)propanesulfonate is a zwitterionic detergent
3-(N,N-Dimethylpalmitylammonio)propanesulfonate has been used in a study to assess the characterization of rat dihydroceramide desaturase. It has also been used in a study to investigate the inhibition of mitochondrial carnitine–acylcarnitine translocase by sulfobetaines. It is also used for extraction of proteins for analysis by chromatography, mass spectroscopy, and electrophoretic methods

Specifications

Synonyms

SB3-16 | Sulfobetaine 16 | N-hexadecyl-N, N-dimethyl-3-ammonio-1-propanesulfonate | 1-Hexadecanaminium, N, N-dimethyl-N-(3-sulfopropyl)-, inner salt | SB83690 | TUBRCQBRKJXJEA-UHFFFAOYSA-N | 1-Hexadecanaminium, N, N-dimethyl-N-(3-sulfopropyl)-, hydroxide, in

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Zwitterionic detergent. Solubilizes membrane proteins. Retains zwitterionic characteristics over wide pH range.

Storage

Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186688
• Canonical Smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• IUPAC Name: 3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate
• InChIKey: TUBRCQBRKJXJEA-UHFFFAOYSA-N
• INCHI: 1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25/h4-21H2,1-3H3
• Isomeric SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• WGK Germany: 3
• Molecular Weight: 391.65
• Beilstein: 4149854
• Reaxy-Rn: 4149854
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4149854&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Tetraalkylammonium salts Sulfonyls Alkanesulfonic acids Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (25 g/l),souble in Methanol
• Flash Point(°F): 230.00℉
• Flash Point(°C): 110°C
• Melt Point(°C): 242 °C
• Molecular Weight: 391.700 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 391.312 Da
• Monoisotopic Mass: 391.312 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 389.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yanqing Zu, Jun Xi, Lu Li, Jinfei Dai, Shuangpeng Wang, Feng Yun, Bo Jiao, Hua Dong, Xun Hou, Zhaoxin Wu.  (2019)  High-Brightness and Color-Tunable FAPbBr3 Perovskite Nanocrystals 2.0 Enable Ultrapure Green Luminescence for Achieving Recommendation 2020 Displays.  ACS Applied Materials & Interfaces,      [PMID:31865697] [10.1021/acsami.9b18140]

2. Liang Jin-Jin, Li Yun-Hui, Liu Fei, Li Hong-Ye, Liu Jie-Sheng, Yang Wei-Dong.  (2015)  Experimental removal of Alexandrium tamarense cells using sulfobetaines and their modified clays.  JOURNAL OF APPLIED PHYCOLOGY,  27  (6): (2313-2319).  [PMID:] [10.1007/s10811-014-0482-4]

3. Yueman Tang, Mengjie Si, Yan-jie Wang, Jiahui Zhou, Yuming Deng, Kaishun Xia, Zhen Jiang, Dong Zhang, Si Yu Zheng, Jintao Yang.  (2024)  Endocytosis-Inspired Zwitterionic Gel Tape for High-Efficient and Sustainable Underoil Adhesion.  Advanced Science,      [PMID:39248332] [10.1002/advs.202407501]

4. Qiqi Niu, Yiqi Pan, Ming Chen, Longfei Sun, Kang Zhang, Yun Zhang, Jing Yan, Wei Qi, Lin Yang, Zhaoxia Dong, Xiaochen Li.  (2025)  Effect of molecular structure of surfactants on its behavioral characteristics at the CO2/water interface.  CHEMICAL PHYSICS,      [PMID:] [10.1016/j.chemphys.2025.113030]