2-(2-Bromophenyl)pyrrolidine - ≥97% , CAS No.129540-24-5

CAS: 129540-24-5 Cat. No.: B586924 Peso molecular: 226.12

GRADE & PURITY ≥97%

Synonyms

DTXSID00391203 | A26414 | Oprea1_780665 | Pyrrolidine, 2-(2-bromophenyl)- | MFCD02663433 | EN300-99989 | 2-(2-bromophenyl)pyrrolidine | 2-(2-Bromo-phenyl)-pyrrolidine | 2-(2-Bromophenyl)-pyrrolidine | BBL021825 | J-505561 | BSLGMIVYENBFFY-UHFFFAOYSA-N | A

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID00391203 | A26414 | Oprea1_780665 | Pyrrolidine, 2-(2-bromophenyl)- | MFCD02663433 | EN300-99989 | 2-(2-bromophenyl)pyrrolidine | 2-(2-Bromo-phenyl)-pyrrolidine | 2-(2-Bromophenyl)-pyrrolidine | BBL021825 | J-505561 | BSLGMIVYENBFFY-UHFFFAOYSA-N | A

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

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

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: C1CC(NC1)C2=CC=CC=C2Br
• IUPAC Name: 2-(2-bromophenyl)pyrrolidine
• InChIKey: BSLGMIVYENBFFY-UHFFFAOYSA-N
• INCHI: 1S/C10H12BrN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2
• Isómeros SMILES: C1CC(NC1)C2=CC=CC=C2Br
• Peso molecular: 226.12
• Reaxy-Rn: 4231835
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4231835&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Bromobenzenes Aralkylamines Aryl bromides Pyrroles Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyrrolidine - Aralkylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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: 226.110 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 225.015 Da
• Monoisotopic Mass: 225.015 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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