2-Aminofenol-4-(n-metil)sulfonamida - ≥95% , CAS No.80-23-9

CAS: 80-23-9 Cat. No.: A186690 Peso molecular: 202.23 Número EC: 201-262-0

GRADE & PURITY ≥95%

Synonyms

3-amino-4-hydroxy-N-methylbenzenesulfonamide | Metanilamide, 4-hydroxy-N-methyl- | FT-0601158 | 3-amino-4-hydroxy-N-methylbenzene-1-sulfonamide | AKOS009228856 | DTXSID7058832 | SB78171 | Benzenesulfonamide, 3-amino-4-hydroxy-N-methyl- | O10936 | 1-Phenol

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

3-amino-4-hydroxy-N-methylbenzenesulfonamide | Metanilamide, 4-hydroxy-N-methyl- | FT-0601158 | 3-amino-4-hydroxy-N-methylbenzene-1-sulfonamide | AKOS009228856 | DTXSID7058832 | SB78171 | Benzenesulfonamide, 3-amino-4-hydroxy-N-methyl- | O10936 | 1-Phenol

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CNS(=O)(=O)C1=CC(=C(C=C1)O)N
• IUPAC Name: 3-amino-4-hydroxy-N-methylbenzenesulfonamide
• InChIKey: NFNLMGYLSDEJKS-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2O3S/c1-9-13(11,12)5-2-3-7(10)6(8)4-5/h2-4,9-10H,8H2,1H3
• Isómeros SMILES: CNS(=O)(=O)C1=CC(=C(C=C1)O)N
• Peso molecular: 202.23
• Reaxy-Rn: 2726724
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2726724&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds o-Aminophenols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Aminosulfonyl compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - O-aminophenol - Aminophenol - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxide - Amine - Primary amine - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the 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

• Sensibilidad: Light sensitive
• Peso molecular: 202.230 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 202.041 Da
• Monoisotopic Mass: 202.041 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 259.000
• 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: 1