3-(N,N-Dimethyloctadecylammonio)propanesulfonate - ≥97%(N) , CAS No.13177-41-8

CAS: 13177-41-8 Cat. No.: D130036 Molecular Weight: 419.71 Beilstein Registry Number: 4152035 EC Number: 236-124-9

GRADE & PURITY ≥97%(N)

Synonyms

3-(N,N-Dimethyloctadecylammonio)propanesulfonate | EINECS 236-124-9 | 3-[dimethyl(octadecyl)ammonio]propane-1-sulfonate | E78875 | n-octadecyldimethyl(3-sulfopropyl)ammonium hydroxide | HY-W008974 | (2-Hydroxyethoxy)cyclohexane | 10.14272/DIROHOMJLWMERM-U

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

A zwitterionic surfactant useful in membrane solubilization studies. Does not absorb UV light or interfere with spectrophotometric analysis of proteins.
Zwitterionic surfactant useful in membrane solubilization studies. Does not absorb UV light and hence does not interfere with spectrophotometric analysis of proteins.

Specifications

Synonyms

3-(N, N-Dimethyloctadecylammonio)propanesulfonate | EINECS 236-124-9 | 3-[dimethyl(octadecyl)ammonio]propane-1-sulfonate | E78875 | n-octadecyldimethyl(3-sulfopropyl)ammonium hydroxide | HY-W008974 | (2-Hydroxyethoxy)cyclohexane | 10.14272/DIROHOMJLWMERM-U

Specifications & Purity

≥97%(N)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(N)

Names and Identifiers

• Pubchem Sid: 504755657
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755657
• Canonical Smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• IUPAC Name: 3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate
• InChIKey: DIROHOMJLWMERM-UHFFFAOYSA-N
• 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
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• WGK Germany: 3
• Molecular Weight: 419.71
• Beilstein: 4152035
• Reaxy-Rn: 4152035
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4152035&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

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Melt Point(°C): 257-260°C
• Molecular Weight: 419.700 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 419.343 Da
• Monoisotopic Mass: 419.343 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 416.000
• 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

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2. Qiangqiang Wang, Xuanyu Zhang, Lei Qian, Chaoyu Xiang.  (2023)  Improving Perovskite Green Quantum Dot Light-Emitting Diode Performance by Hole Interface Buffer Layers.  ACS Applied Materials & Interfaces,      [PMID:37272407] [10.1021/acsami.3c04592]

3. Rongxin Lin, Jian Lu, Faguang Ma, Ming Yan, Yilin Wu, Jianming Pan.  (2023)  Continuous-imprinted-layer nanofiber membrane with MXene-based precise-designed nanocages for high-accuracy recognition and separation of shikimic acid.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:36972623] [10.1016/j.jcis.2023.03.104]

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6. Wendong Xing, Yilin Wu, Jian Lu, Chunxiang Li, Yongsheng Yan, Linli Xu.  (2024)  Biomimetic designing MOFs nanosheet based membranes with self-recovery two-dimensional selective channels for specific molecules long-lasting precise separation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122962]

7. Zezhong Lin, Bingxuan Du, Conglin Zhang, Qingsong Ji, Xiaobo Yang, Haichao Li.  (2024)  Nanocarbon Materials: Synthesis of Newly Discovered Carbon Nanoframes and Hollow Carbon Nanocubes.  Advanced Materials Interfaces,  11  (36): (2400509).  [PMID:] [10.1002/admi.202400509]

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