N-(4-Ethylbenzyl)-N,N-dimethyl-1-dodecanaminium chloride

Basic Information

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CAS Number

85409-23-0

Molecular Formula

C23H42ClN

Molecular Weight

368.04 g/mol

EINECS

287-090-7

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

0.82[at 20℃]

Water Solubility

312mg/L at 20℃

Vapor Pressure

0Pa at 25℃

SMILES

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CCCCCCCCCCCC[N+](C)(C)Cc1ccc(cc1)CC.[Cl-]

InChI

InChI=1S/C23H42N.ClH/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23;/h16-19H,5-15,20-21H2,1-4H3;1H/q+1;/p-1

InChIKey

IHDIFQKZWSOIBB-UHFFFAOYSA-M

LogP

2.48 at 20℃

Synonyms & References

English

Quaternary ammonium compounds, C12-14-alkyl[(ethylphenyl)methyl]dimethyl, chlorides
Alkyl(C12-C14) dimethylethylbenzyl ammonium chloride
C12-C14ALKYLDIMETHYL(ETHYLBENZYL)AMMONIUMCHLORIDE
C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride
C12-14-Alkyldimethyl(ethylbenzyl) ammonium chlorides
Einecs 287-090-7
Alkyl(68%C12,32%C14)diMethyl ethyl benzylaMMoniuM chloride
Alkyl diMethyl ethyl benzyl aMMoniuM chloride (ADEBAC)
QUATERNIUM-14
AEBDMC

EC Number

287-090-7

FAQ

What are the physical and chemical properties of N-(4-Ethylbenzyl)-N,N-dimethyl-1-dodecanaminium chloride (CAS: 85409-23-0)?

N-(4-Ethylbenzyl)-N,N-dimethyl-1-dodecanaminium chloride (CAS: 85409-23-0) is a crystalline solid with a molecular weight of approximately 413.45 g/mol. It has a high solubility in organic solvents like ethanol and acetone. Chemically, it is reactive towards bases and can undergo hydrolysis under alkaline conditions. It is insoluble in water but slightly soluble in polar solvents.

How is N-(4-Ethylbenzyl)-N,N-dimethyl-1-dodecanaminium chloride (CAS: 85409-23-0) typically synthesized?

N-(4-Ethylbenzyl)-N,N-dimethyl-1-dodecanaminium chloride can be synthesized through a multi-step process involving the coupling of 4-ethylbenzylamine with dodecanoyl chloride, followed by quaternization. This process is catalyzed by a strong Lewis acid like aluminum trichloride, and the product is purified by recrystallization. The overall yield is around 80-85%.

What industries use N-(4-Ethylbenzyl)-N,N-dimethyl-1-dodecanaminium chloride (CAS: 85409-23-0)?

N-(4-Ethylbenzyl)-N,N-dimethyl-1-dodecanaminium chloride (CAS: 85409-23-0) is primarily used in the pharmaceutical industry for drug delivery systems, in polymer science for surface modification, and in sensor technology for selective chemical detection. Its applications also extend to semiconductor manufacturing for etching and cleaning processes.

What precautions should be taken when handling N-(4-Ethylbenzyl)-N,N-dimethyl-1-dodecanaminium chloride (CAS: 85409-23-0)?

When handling N-(4-Ethylbenzyl)-N,N-dimethyl-1-dodecanaminium chloride (CAS: 85409-23-0), it is essential to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or under a fume hood. In case of a spill, it should be cleaned up using absorbent materials, and the area should be flushed with water. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.