Stearyl Trimethyl Ammoium Chloride - ≥98% , CAS No.112-03-8

CAS: 112-03-8 Cat. No.: S105314 Peso molecular: 348.05 Beilstein Registry Number: 3917847 Número EC: 203-929-1

GRADE & PURITY ≥98%

Synonyms

STAC | n-Octadecyltrimethylammonium chloride | Trimethyloctadecylammonium chloride | Octadecyltrimethylammonium Chloride

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

Soluble in alcohol and hot water, produces a large amount of foam upon shaking, and has good compatibility and significant synergistic effects with cationic and non-ionic surfactants or dyes. It exhibits excellent chemical stability, heat resistance, light resistance, and resistance to strong acids and alkalis. It also has outstanding penetration, softening, emulsifying, antistatic, and antibacterial properties.

Specifications

Sinónimos

STAC | n-Octadecyltrimethylammonium chloride | Trimethyloctadecylammonium chloride | Octadecyltrimethylammonium Chloride

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180705
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180705
• Sonrisas canónicas: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• IUPAC Name: trimethyl(octadecyl)azanium;chloride
• InChIKey: VBIIFPGSPJYLRR-UHFFFAOYSA-M
• INCHI: 1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• WGK Alemania: 3
• RTECS: BT1750000
• Peso molecular: 348.05
• Beilstein: 3917847
• Reaxy-Rn: 3917847

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Amine - Aliphatic acyclic compound
• Descripción: 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: organic molecular entity

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

Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water 1.759 mg/L @ 25°C.
• Punto de fusión (°C): 104 °C
• Peso molecular: 348.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 347.332 Da
• Monoisotopic Mass: 347.332 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 204.000
• 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

Referencias

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