4-(Benzylamino)phenol - ≥98% , CAS No.103-14-0

CAS: 103-14-0 Cat. No.: B189405 Peso molecular: 199.25 Número EC: 203-082-8

GRADE & PURITY ≥98%

Synonyms

p-benzylaminophenol | InChI=1/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2 | N-Benzyl-4-hydroxyaniline | 4-Benzylaminophenol | Phenol,4-[(phenylmethyl)amino]- | TS-02818 | MFCD00051312 | SCHEMBL158251 | 4-N-Benzylaminophenol | Phen

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

p-benzylaminophenol | InChI=1/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9, 14-15H, 10H2 | N-Benzyl-4-hydroxyaniline | 4-Benzylaminophenol | Phenol, 4-[(phenylmethyl)amino]- | TS-02818 | MFCD00051312 | SCHEMBL158251 | 4-N-Benzylaminophenol | Phen

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504751416
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751416
• Sonrisas canónicas: C1=CC=C(C=C1)CNC2=CC=C(C=C2)O
• IUPAC Name: 4-(benzylamino)phenol
• InChIKey: SRYYOKKLTBRLHT-UHFFFAOYSA-N
• INCHI: 1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2
• Isómeros SMILES: C1=CC=C(C=C1)CNC2=CC=C(C=C2)O
• Peso molecular: 199.25
• Reaxy-Rn: 1874039
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874039&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzamines
• Alternative Parents: p-Aminophenols Phenylalkylamines Benzylamines Aniline and substituted anilines Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbenzamine - Aminophenol - P-aminophenol - Benzylamine - Aniline or substituted anilines - Phenylalkylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Aralkylamine - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
• 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

• Peso molecular: 199.250 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 199.1 Da
• Monoisotopic Mass: 199.1 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 169.000
• 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