4-Aminoresorcinol hydrochloride - ≥96% , CAS No.34781-86-7

CAS: 34781-86-7 Cat. No.: A137578 Peso molecular: 161.59 Número EC: 826-100-1

GRADE & PURITY ≥96%

Synonyms

2,4-Dihydroxyaniline hydrochloride | CHEBI:146243 | BDBM50184069 | 4-Aminoresorcinol, HCl | NSC315546 | BCP09515 | SCHEMBL183345 | 4-Aminoresorcinol hydrochloride | A846707 | 1,3-Benzenediol, 4-amino-, hydrochloride | 4-Amino-1,3-Benzenediol HCl | 4-amino

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2, 4-Dihydroxyaniline hydrochloride | CHEBI:146243 | BDBM50184069 | 4-Aminoresorcinol, HCl | NSC315546 | BCP09515 | SCHEMBL183345 | 4-Aminoresorcinol hydrochloride | A846707 | 1, 3-Benzenediol, 4-amino-, hydrochloride | 4-Amino-1, 3-Benzenediol HCl | 4-amino

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1O)O)N.Cl
• IUPAC Name: 4-aminobenzene-1,3-diol;hydrochloride
• InChIKey: LLJMPRKYLLJAEB-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO2.ClH/c7-5-2-1-4(8)3-6(5)9;/h1-3,8-9H,7H2;1H
• Isómeros SMILES: C1=CC(=C(C=C1O)O)N.Cl
• WGK Alemania: 3
• Peso molecular: 161.59
• Reaxy-Rn: 4821169
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4821169&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: p-Aminophenols o-Aminophenols Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - P-aminophenol - O-aminophenol - Resorcinol - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic chloride salt - Organic nitrogen compound - Organic salt - Organic zwitterion - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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: 161.580 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 161.024 Da
• Monoisotopic Mass: 161.024 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 97.100
• 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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