Sodium 5-Amino-2-hydroxybenzoate - ≥97% , CAS No.35589-28-7

CAS: 35589-28-7 Cat. No.: D303526 Molecular Weight: 175.12

GRADE & PURITY ≥97%

Synonyms

Sodium 5-amino-2-hydroxybenzoate|35589-28-7|Sodium 5-aminosalicylate|5-AMINOSALICYLIC ACID SODIUM SALT|sodium;5-amino-2-hydroxybenzoate|Benzoic acid, 5-amino-2-hydroxy-, monosodium salt|EINECS 252-631-8|MFCD00070555|Benzoic acid, 5-amino-2-hydroxy-, sodiu

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

Sodium 5-amino-2-hydroxybenzoate | 35589-28-7 | Sodium 5-aminosalicylate | 5-AMINOSALICYLIC ACID SODIUM SALT | sodium;5-amino-2-hydroxybenzoate | Benzoic acid, 5-amino-2-hydroxy-, monosodium salt | EINECS 252-631-8 | MFCD00070555 | Benzoic acid, 5-amino-2-hydroxy-, sodiu

Specifications & Purity

≥97%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200391
• Canonical Smiles: C1=CC(=C(C=C1N)C(=O)[O-])O.[Na+]
• IUPAC Name: sodium;5-amino-2-hydroxybenzoate
• InChIKey: AWDRBBZJLVNKQS-UHFFFAOYSA-M
• INCHI: 1S/C7H7NO3.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1
• Isomeric SMILES: C1=CC(=C(C=C1N)C(=O)[O-])O.[Na+]
• Molecular Weight: 175.12
• Reaxy-Rn: 8169567
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8169567&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: Salicylic acids Benzoic acids p-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Amino acids Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organooxygen compounds Primary amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Hydroxybenzoic acid - Salicylic acid - Salicylic acid or derivatives - Benzoic acid - P-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic sodium salt - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic zwitterion - Primary amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• 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: 175.120 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.025 Da
• Monoisotopic Mass: 175.025 Da
• Topological Polar Surface Area: 86.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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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