sodium 3-aminobenzenesulfonate - 60% aqueous solution , CAS No.1126-34-7

CAS: 1126-34-7 Cat. No.: M165967 Peso molecular: 195.173 Número EC: 214-419-3

GRADE & PURITY 60% aqueous solution

Synonyms

Metanilan sodny [Czech] | AKOS006346529 | Benzenesulfonic acid, m-amino-, sodium salt | MFCD00025275 | Benzenesulfonic acid, 3-amino-, sodium salt | Sodium 3-aminobenzenesulphonate | Benzenesulfonic acid, 3-amino-, monosodium salt | Metanilic acid, sodium

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Metanilan sodny [Czech] | AKOS006346529 | Benzenesulfonic acid, m-amino-, sodium salt | MFCD00025275 | Benzenesulfonic acid, 3-amino-, sodium salt | Sodium 3-aminobenzenesulphonate | Benzenesulfonic acid, 3-amino-, monosodium salt | Metanilic acid, sodium

Especificaciones y pureza

60% aqueous solution

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 504769563
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769563
• Sonrisas canónicas: C1=CC(=CC(=C1)S(=O)(=O)[O-])N.[Na+]
• IUPAC Name: sodium;3-aminobenzenesulfonate
• InChIKey: GLXWXYTYBIBBLD-UHFFFAOYSA-M
• INCHI: 1S/C6H7NO3S.Na/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+1/p-1
• Isómeros SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])N.[Na+]
• Peso molecular: 195.173
• Reaxy-Rn: 4772400
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4772400&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Sulfonyls Organosulfonic acids Primary amines Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organic salt - Organic sodium salt - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 195.170 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 194.997 Da
• Monoisotopic Mass: 194.997 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 223.000
• 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

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