3-Amino-5-hydroxybenzoic acid, HCl - ≥95% , CAS No.14206-69-0

CAS: 14206-69-0 Cat. No.: A181460 Molecular Weight: 189.6 EC Number: 630-153-4

GRADE & PURITY ≥95%

Synonyms

3-Amino-5-hydroxybenzoicAcidHydrochloride | Benzoic acid, 3-amino-5-hydroxy-, hydrochloride | CXESTILCPSBCGQ-UHFFFAOYSA-N | MFCD00043420 | 3-Amino-5-hydroxybenzoic acid--hydrogen chloride (1/1) | FT-0750155 | SCHEMBL2178065 | 3-amino-5-hydroxybenzoic acid

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-Amino-5-hydroxybenzoicAcidHydrochloride | Benzoic acid, 3-amino-5-hydroxy-, hydrochloride | CXESTILCPSBCGQ-UHFFFAOYSA-N | MFCD00043420 | 3-Amino-5-hydroxybenzoic acid--hydrogen chloride (1/1) | FT-0750155 | SCHEMBL2178065 | 3-amino-5-hydroxybenzoic acid

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504769772
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769772
• Canonical Smiles: C1=C(C=C(C=C1N)O)C(=O)O.Cl
• IUPAC Name: 3-amino-5-hydroxybenzoic acid;hydrochloride
• InChIKey: CXESTILCPSBCGQ-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO3.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3,9H,8H2,(H,10,11);1H
• Isomeric SMILES: C1=C(C=C(C=C1N)O)C(=O)O.Cl
• Molecular Weight: 189.6
• Reaxy-Rn: 5305404
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5305404&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Aminobenzoic acids Benzoic acids m-Aminophenols Benzoyl derivatives Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acids Organooxygen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Aminobenzoic acid or derivatives - Hydroxybenzoic acid - Benzoic acid - M-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic chloride salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• 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: 189.590 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.019 Da
• Monoisotopic Mass: 189.019 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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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