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

CAS: 13419-61-9 Cat. No.: S100284 Peso molecular: 244.33 Beilstein Registry Number: 3918920 Número EC: 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

Sinónimos

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

Especificaciones y pureza

for ion pair chromatography, ≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Desiccated, Room temperature

Enviado en

Normal

Grado

for Ion pair chromatography

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
• WGK Alemania: 3
• PubChem CID: 2724181
• Peso molecular: 244.33
• Beilstein: 3918920

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic.
• Punto de fusión (°C): 300°C
• Peso molecular: 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

Referencias

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]