2-Benzylaniline - ≥98% , CAS No.28059-64-5

CAS: 28059-64-5 Cat. No.: B133142 Fórmula: C₆H₅CH₂C₆H₄NH₂ Peso molecular: 183.25 Beilstein Registry Number: 2803264 Número EC: 248-806-3

CALIDAD & PUREZA ≥98%

Synonyms

EN300-20540 | o-Aminodiphenylmethane | W-107078 | 2-Benzylaniline, purum, >=99.0% (NT) | 2-Benzylaniline, >=99% | alpha-phenyl-o-toluidine | Z104478692 | AMY14513 | EINECS 248-806-3 | o-Benzylaniline | 2-Benzyl-phenylamine | MFCD00007750 | o-Toluidine, .a

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

EN300-20540 | o-Aminodiphenylmethane | W-107078 | 2-Benzylaniline, purum, >=99.0% (NT) | 2-Benzylaniline, >=99% | alpha-phenyl-o-toluidine | Z104478692 | AMY14513 | EINECS 248-806-3 | o-Benzylaniline | 2-Benzyl-phenylamine | MFCD00007750 | o-Toluidine, .a

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488187616

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187616

Sonrisas canónicas

C1=CC=C(C=C1)CC2=CC=CC=C2N

IUPAC Name

2-benzylaniline

InChIKey

DWOBGCPUQNFAFB-UHFFFAOYSA-N

INCHI

1S/C13H13N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10,14H2

Isómeros SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2N

WGK Alemania

3

Peso molecular

183.25

Beilstein

2803264

Reaxy-Rn

2803264

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803264&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 172°C/12mmHg
• Punto de fusión (°C): 49-54°C
• Peso molecular: 183.250 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.105 Da
• Monoisotopic Mass: 183.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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