3,3'-Dihydroxydiphenylamine - ≥97% , CAS No.65461-91-8

CAS: 65461-91-8 Cat. No.: D156011 Peso molecular: 201.23 Número EC: 265-787-7

GRADE & PURITY ≥97%

Synonyms

DTXSID30215786 | Bis(3-hydroxyphenyl)amine | 3,3'-Azanediyldiphenol | 3-[(3-hydroxyphenyl)amino]phenol | EINECS 265-787-7 | 3,3'-Dihydroxydiphenylamine | 3,3-DIHYDROXYDIPHENYLAMINE | 3,3'-Iminodiphenol | SCHEMBL1389429 | 3-(3-hydroxyanilino)phenol | 3,3'-

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID30215786 | Bis(3-hydroxyphenyl)amine | 3, 3'-Azanediyldiphenol | 3-[(3-hydroxyphenyl)amino]phenol | EINECS 265-787-7 | 3, 3'-Dihydroxydiphenylamine | 3, 3-DIHYDROXYDIPHENYLAMINE | 3, 3'-Iminodiphenol | SCHEMBL1389429 | 3-(3-hydroxyanilino)phenol | 3, 3'-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)O)NC2=CC(=CC=C2)O
• IUPAC Name: 3-(3-hydroxyanilino)phenol
• InChIKey: JSQGOXTYKZBABW-UHFFFAOYSA-N
• INCHI: 1S/C12H11NO2/c14-11-5-1-3-9(7-11)13-10-4-2-6-12(15)8-10/h1-8,13-15H
• Isómeros SMILES: C1=CC(=CC(=C1)O)NC2=CC(=CC=C2)O
• Peso molecular: 201.23
• Reaxy-Rn: 2806112
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2806112&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: m-Aminophenols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Secondary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-aminophenol - Aniline or substituted anilines - Aminophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 201.220 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.079 Da
• Monoisotopic Mass: 201.079 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 178.000
• 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