Cetrimonium bromide（CTAB） - High-purity , CAS No.57-09-0

CAS: 57-09-0 Cat. No.: C274355 Formula: C₁₉H₄₂BrN Peso molecolare: 364.45 Beilstein Registry Number: 3598189 Numero EC: 200-311-3

GRADE & PURITY High-purity

Synonyms

CTAB | Bromure de cetrimonium [INN-French] | AI3-12209 | cetyl trimethylammonium bromide | cetyl trimethyl-ammonium bromide | Cradocap | hexadecyltrimethylazanium bromide | Pollacid | Cetrimida | CETRIMONIUM BROMIDE [MART.] | CETRIMONIUM BROMIDE [MI] | ce

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Sinonimi

CTAB | Bromure de cetrimonium [INN-French] | AI3-12209 | cetyl trimethylammonium bromide | cetyl trimethyl-ammonium bromide | Cradocap | hexadecyltrimethylazanium bromide | Pollacid | Cetrimida | CETRIMONIUM BROMIDE [MART.] | CETRIMONIUM BROMIDE [MI] | ce

Specifiche e purezza

High-purity

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged,Desiccated

Spedito in

Normal

Grado

High-purity

Nomi e identificatori

Pubchem Sid

508812579

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812579

Sorrisi canonici

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

IUPAC Name

hexadecyl(trimethyl)azanium;bromide

InChIKey

LZZYPRNAOMGNLH-UHFFFAOYSA-M

INCHI

1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1

Isomeri SMILES

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

WGK Germania

3

RTECS

BQ7875000

Numero UN

3077

Gruppo di imballaggio

III

Peso molecolare

364.45

Beilstein

3598189

Reaxy-Rn

3598189

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3598189&ln=

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 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
• Descrizione: 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 - organic 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water; soluble in alcohol; slightly soluble in acetone; insoluble in benzene and ether
• Sensibilità: air & Moisture sensitive
• Punto di infiammabilità (°F): 471.2℉
• Punto di infiammabilità (°C): 244°C
• Punto di fusione (°C): 248-251°C
• Peso molecolare: 364.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 363.25 Da
• Monoisotopic Mass: 363.25 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 181.000
• 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