3-Bromopropyltrimethylammonium bromide - ≥99% , CAS No.3779-42-8

CAS: 3779-42-8 Cat. No.: B110907 Molecular Weight: 261 EC Number: 628-915-6 PubChem CID: 151145

GRADE & PURITY ≥99%

Synonyms

3-bromanylpropyl(trimethyl)azanium bromide | 5-Isopropyl-4-nitro-1H-pyrazol-3-carboxylicAcid | NSC 114234 | (3-Bromopropyl)trimethylammonium bromide | FT-0659760 | (3-Bromopropyl)trimethylammonium bromide, 97% | A823878 | 1332723-20-2 | 3-bromopropyl(trim

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-bromanylpropyl(trimethyl)azanium bromide | 5-Isopropyl-4-nitro-1H-pyrazol-3-carboxylicAcid | NSC 114234 | (3-Bromopropyl)trimethylammonium bromide | FT-0659760 | (3-Bromopropyl)trimethylammonium bromide, 97% | A823878 | 1332723-20-2 | 3-bromopropyl(trim

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504757350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757350
• Canonical Smiles: C[N+](C)(C)CCCBr.[Br-]
• IUPAC Name: 3-bromopropyl(trimethyl)azanium;bromide
• InChIKey: NNZGNZHUGJAKKT-UHFFFAOYSA-M
• INCHI: 1S/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+](C)(C)CCCBr.[Br-]
• WGK Germany: 3
• PubChem CID: 151145
• Molecular Weight: 261

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Hygroscopic
• Melt Point(°C): 210°C
• Molecular Weight: 261.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 260.955 Da
• Monoisotopic Mass: 258.957 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 56.000
• 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: 2

XLogP3

References

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