Sodium 1-decanesulfonate

• Catalog Number: ACM13419619
• Product Name: Sodium 1-decanesulfonate
• CAS: 13419-61-9
• Category: Organic Phosphine Compounds
• Synonyms: 1-Decanesulfonic acid sodium salt
• IUPAC Name: sodium;decane-1-sulfonate
• Molecular Weight: 244.33
• Molecular Formula: C10H21NaO3S
• Canonical SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
• InChI: 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
• InChI Key: AIMUHNZKNFEZSN-UHFFFAOYSA-M
• Melting Point: >300 °C (lit.)
• Appearance: Powder
• Complexity: 209
• EC Number: 236-525-9
• Exact Mass: 244.11090998
• Formal Charge: 0
• Hazard Statements: Xi: Irritant
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
• MDL Number: MFCD00007526
• Monoisotopic Mass: 244.11090998
• Rotatable Bond Count: 9
• Safety Description: S24/25
• Stability: Stable. Hygroscopic. Incompatible with strong oxidizing agents.
• Topological Polar Surface Area: 65.6 Ų
• WGK Germany: 3