Sodium 1-decanesulfonate - for ion pair chromatography, ≥99% , CAS No.13419-61-9

CAS: 13419-61-9 Cat. No.: S100284 Molecular Weight: 244.33 Beilstein Registry Number: 3918920 EC Number: 236-525-9 PubChem CID: 2724181

GRADE & PURITY for Ion pair chromatography, ≥99%

Synonyms

1-Decanesulfonic acid, sodium salt | F10018 | AS-14380 | DTXSID20158592 | I0348 | SY013395 | SODIUM N-DECYLSULFONATE | 1-Decanesulfonic acid, sodium salt (1:1) | C10H21NaO3S | MFCD00007526 | sodium decylsulphonate | Sodium decane-1-sulphonate | EINECS 236

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Decanesulfonic acid, sodium salt | F10018 | AS-14380 | DTXSID20158592 | I0348 | SY013395 | SODIUM N-DECYLSULFONATE | 1-Decanesulfonic acid, sodium salt (1:1) | C10H21NaO3S | MFCD00007526 | sodium decylsulphonate | Sodium decane-1-sulphonate | EINECS 236

Specifications & Purity

for ion pair chromatography, ≥99%

Storage

Argon charged, Desiccated, Room temperature

Shipped In

Normal

Grade

for Ion pair chromatography

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;decane-1-sulfonate
• InChIKey: AIMUHNZKNFEZSN-UHFFFAOYSA-M
• INCHI: 1S/C10H22O3S.Na/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
• Isomeric SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
• WGK Germany: 3
• PubChem CID: 2724181
• Molecular Weight: 244.33
• Beilstein: 3918920

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: Sulfonyls Alkanesulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - 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

• Sensitivity: Hygroscopic.
• Melt Point(°C): 300°C
• Molecular Weight: 244.330 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 244.111 Da
• Monoisotopic Mass: 244.111 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 209.000
• 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: 2

XLogP3

References

1. Chen Junyang, Xiang Pan, Duro-Castano Aroa, Cai Huawei, Guo Bin, Liu Xiqin, Yu Yifan, Lui Su, Luo Kui, Ke Bowen, Ruiz-Pérez Lorena, Gong Qiyong, Tian Xiaohe, Battaglia Giuseppe.  (2025)  Rapid amyloid-β clearance and cognitive recovery through multivalent modulation of blood–brain barrier transport.  Signal Transduction and Targeted Therapy,  10  (1): (1-12).  [PMID:41052971] [10.1038/s41392-025-02426-1]