3-Bromopyrrolidine hydrobromide - ≥95% , CAS No.1262769-75-4

CAS: 1262769-75-4 Cat. No.: B166798 Fórmula: C₄H₉Br₂N Peso molecular: 230.93 Número EC: 689-515-5

GRADE & PURITY ≥95%

Synonyms

3-BROMOPYRROLIDINE HBR | AKOS015998808 | A889475 | DTXSID70735291 | 3-Bromopyrrolidinehydrobromide | 3-Bromopyrrolidine hydrobromide | DS-18501 | MFCD13181592 | 3-bromopyrrolidine;hydrobromide | 1262769-75-4 | 3-Bromopyrrolidine--hydrogen bromide (1/1) |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

3-BROMOPYRROLIDINE HBR | AKOS015998808 | A889475 | DTXSID70735291 | 3-Bromopyrrolidinehydrobromide | 3-Bromopyrrolidine hydrobromide | DS-18501 | MFCD13181592 | 3-bromopyrrolidine;hydrobromide | 1262769-75-4 | 3-Bromopyrrolidine--hydrogen bromide (1/1) |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504771836
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771836
• Sonrisas canónicas: C1CNCC1Br.Br
• IUPAC Name: 3-bromopyrrolidine;hydrobromide
• InChIKey: ZSDJSWROXIUGAE-UHFFFAOYSA-N
• INCHI: 1S/C4H8BrN.BrH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H
• Isómeros SMILES: C1CNCC1Br.Br
• WGK Alemania: 1
• CAS alternativo: 952797-35-2
• Peso molecular: 230.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives Hydrobromides Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which 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

• Sensibilidad: Light sensitive;Heat sensitive;Moisture sensitive
• Punto de fusión (°C): 135-141 °C
• Peso molecular: 230.930 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 230.908 Da
• Monoisotopic Mass: 228.91 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.800
• 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: 2

XLogP3

Referencias

1. Ma Qingkun, Zhang Mei, Fan Yongshuai, Zhao Han, Wang Kun, Wang Xiaojing, Mu Yanling.  (2025)  Simultaneous determination of 7 thiols associated proteins in lymphoma patients’serum and cerebrospinal fluid by UHPLC-HRMS technique.  Scientific Reports,  15  (1): (1-18).  [PMID:40610540] [10.1038/s41598-025-03023-6]