Sodium 2-(dimethylamino)-1-hydroxyethanesulfonate - ≥95% , CAS No.1433960-19-0

CAS: 1433960-19-0 Cat. No.: S190915 Molecular Weight: 191.18 PubChem CID: 71607346

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488202272
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202272
• Canonical Smiles: CN(C)CC(O)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;2-(dimethylamino)-1-hydroxyethanesulfonate
• InChIKey: IXCOLRNWVTZDBE-UHFFFAOYSA-M
• INCHI: 1S/C4H11NO4S.Na/c1-5(2)3-4(6)10(7,8)9;/h4,6H,3H2,1-2H3,(H,7,8,9);/q;+1/p-1
• Isomeric SMILES: CN(C)CC(O)S(=O)(=O)[O-].[Na+]
• PubChem CID: 71607346
• Molecular Weight: 191.18

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 Trialkylamines Organooxygen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary amine - Tertiary aliphatic amine - Organic alkali metal salt - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic sodium salt - 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

• Molecular Weight: 191.180 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 191.023 Da
• Monoisotopic Mass: 191.023 Da
• Topological Polar Surface Area: 89.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 185.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3