Bromocholine Bromide - ≥99% , CAS No.2758-06-7

CAS: 2758-06-7 Cat. No.: B108989 Formule: C₅H₁₃BrN Poids moléculaire: 246.97 Numéro CE: 220-419-4 PubChem CID: 17689

QUALITÉ & PURETÉ ≥99%

Synonyms

BETAB | Ethanaminium, 2-bromo-N,N,N-trimethyl-, bromide | AKOS015914942 | (2-bromoethyl)trimethylazanium bromide | BCB | Bromocholine bromide | 2-bromoethyl(trimethyl)ammonium | (BROMOETHYL)TRIMETHYLAMMONIUM BROMIDE | DTXSID10883725 | SCHEMBL786264 | BTAB

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

A thiol reactive alkyl halide and quaternary amine

Spécifications

Synonymes

BETAB | Ethanaminium, 2-bromo-N,N,N-trimethyl-, bromide | AKOS015914942 | (2-bromoethyl)trimethylazanium bromide | BCB | Bromocholine bromide | 2-bromoethyl(trimethyl)ammonium | (BROMOETHYL)TRIMETHYLAMMONIUM BROMIDE | DTXSID10883725 | SCHEMBL786264 | BTAB

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

528757214

Sourires canoniques

C[N+](C)(C)CCBr.[Br-]

IUPAC Name

2-bromoethyl(trimethyl)azanium;bromide

InChIKey

OINMNSFDYTYXEQ-UHFFFAOYSA-M

INCHI

1S/C5H13BrN.BrH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1

Isomères SMILES

C[N+](C)(C)CCBr.[Br-]

WGK Allemagne

3

RTECS

BO9481000

PubChem CID

17689

Numéro ONU

2811

Groupe d'emballage

III

Poids moléculaire

246.97

Reaxy-Rn

3913242

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organobromides Organic bromide salts Hydrocarbon derivatives Amines Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO and Methanol
• Sensibilité: Light sensitive.moisture sensitive
• Point de fusion (°C): 244°C
• Poids moléculaire: 246.970 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 246.939 Da
• Monoisotopic Mass: 244.941 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.500
• 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: 2

XLogP3