Dodeciltrimetilammonio cloruro - per la cromatografia a coppie di ioni, ≥99% , CAS No.112-00-5

CAS: 112-00-5 Cat. No.: D105297 Formula: C₁₅H₃₄ClN Peso molecolare: 263.89 Beilstein Registry Number: 3915951 Numero EC: 203-927-0

GRADE & PURITY for Ion pair chromatography, ≥99%

Synonyms

DTAC | Arquad 12-23 | cloruro di dodecil(trimetil)ammonio | EINECS 203-927-0 | cloruro di dodeciltrimetilammonio 100 microg/mL in acetonitrile | DTAC | CLORURO DI LAURTRIMONIO [INCI] | Q-201039 | Empigen 5089 | CLORURO DI DODECIL TRIMETIL AMMONIO | NCGC00

Storage

Argon charged,Room temperature

Shipped In

Normale

Specifications

Sinonimi

DTAC | Arquad 12-23 | cloruro di dodecil(trimetil)ammonio | EINECS 203-927-0 | cloruro di dodeciltrimetilammonio 100 microg/mL in acetonitrile | DTAC | CLORURO DI LAURTRIMONIO [INCI] | Q-201039 | Empigen 5089 | CLORURO DI DODECIL TRIMETIL AMMONIO | NCGC00

Specifiche e purezza

per la cromatografia a coppie di ioni, ≥99%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Grado

per la cromatografia a coppie ioniche

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

528770228

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770228

Sorrisi canonici

CCCCCCCCCCCC[N+](C)(C)C.[Cl-]

IUPAC Name

dodecyl(trimethyl)azanium;chloride

InChIKey

DDXLVDQZPFLQMZ-UHFFFAOYSA-M

INCHI

1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1

Isomeri SMILES

CCCCCCCCCCCC[N+](C)(C)C.[Cl-]

Numero UN

3077

Gruppo di imballaggio

III

Peso molecolare

263.89

Beilstein

3915951

Reaxy-Rn

3915951

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3915951&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 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
• 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: 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

Obiettivi associati (umani)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water
• Sensibilità: Hygroscopic
• Punto di fusione (°C): 246°C
• Peso molecolare: 263.890 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 263.238 Da
• Monoisotopic Mass: 263.238 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 135.000
• 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