Tetrapropylammonium bromide - for ion pair chromatography, ≥99%(AT) , CAS No.1941-30-6

CAS: 1941-30-6 Cat. No.: T119590 Formula: C₁₂H₂₈NBr Molecular Weight: 266.27 EC Number: 217-727-6

GRADE & PURITY for Ion pair chromatography, ≥99%(AT)

Synonyms

A813701 | tetrapropylazanium;bromide | C12H28BrN | SCHEMBL82922 | DTXCID706130 | tetra-n-Propylammonium bromide | AKOS015907873 | DTXSID9026130 | 3-(p-Chlorophenyl)-1-methyl-1-(1-methyl-2-propynyl)urea | 220T63791N | J-524898 | SY009939 | T0694 | UNII-220

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

A813701 | tetrapropylazanium;bromide | C12H28BrN | SCHEMBL82922 | DTXCID706130 | tetra-n-Propylammonium bromide | AKOS015907873 | DTXSID9026130 | 3-(p-Chlorophenyl)-1-methyl-1-(1-methyl-2-propynyl)urea | 220T63791N | J-524898 | SY009939 | T0694 | UNII-220

Specifications & Purity

for ion pair chromatography, ≥99%(AT)

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Grade

for Ion pair chromatography

Purity

≥99%(AT)

Names and Identifiers

Canonical Smiles

CCC[N+](CCC)(CCC)CCC.[Br-]

IUPAC Name

tetrapropylazanium;bromide

InChIKey

BGQMOFGZRJUORO-UHFFFAOYSA-M

INCHI

1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1

Isomeric SMILES

CCC[N+](CCC)(CCC)CCC.[Br-]

WGK Germany

3

Alternate CAS

13010-31-6

Molecular Weight

266.27

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 Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - 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: quaternary ammonium salt - bromide salt

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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 270°C
• Molecular Weight: 266.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 265.141 Da
• Monoisotopic Mass: 265.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 80.200
• 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