(4-Chlorophenyl)(phenyl)methanamine - ≥97% , CAS No.28022-43-7

CAS: 28022-43-7 Cat. No.: C588546 Peso molecular: 217.7 Número EC: 837-547-7

GRADE & PURITY ≥97%

Synonyms

AKOS016048911 | (4-CHLOROPHENYL)PHENYLMETHYLAMINE HYDROCHLORIDE | AMY36430 | AS-40882 | AKOS002679528 | FT-0653347 | SB79348 | EINECS 226-085-6 | STK496058 | EN300-12017 | C13H12NCl | J-501387 | C-(4-Chloro-phenyl)-C-phenyl-methylamine | racemic 4-chlorob

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AKOS016048911 | (4-CHLOROPHENYL)PHENYLMETHYLAMINE HYDROCHLORIDE | AMY36430 | AS-40882 | AKOS002679528 | FT-0653347 | SB79348 | EINECS 226-085-6 | STK496058 | EN300-12017 | C13H12NCl | J-501387 | C-(4-Chloro-phenyl)-C-phenyl-methylamine | racemic 4-chlorob

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N
• IUPAC Name: (4-chlorophenyl)-phenylmethanamine
• InChIKey: XAFODXGEQUOEKN-UHFFFAOYSA-N
• INCHI: 1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2
• Isómeros SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N
• Peso molecular: 217.7
• Reaxy-Rn: 2102683
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2102683&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: Chlorobenzenes Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 217.690 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 217.066 Da
• Monoisotopic Mass: 217.066 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1