N-Benzyl-N,N-dimethyl-1-tridecanaminium chloride

Basic Information

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CAS Number

8001-54-5

Molecular Formula

C22H40ClN

Molecular Weight

340 g/mol

EINECS

616-786-9

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

>100°C/760mmHg

Density

0.98

SMILES

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CCCCCCCCCCCC[N+](C)(CC1=CC=CC=C1)C.[Cl-]

InChI

InChI=1S/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1

InChIKey

XIWFQDBQMCDYJT-UHFFFAOYSA-M

LogP

7.76610

Safety Information

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Storage Conditions

Store below +30°C.

Stability

Stable. Incompatible with strong oxidizing agents, moisture. Hygroscopic.

Toxicity

LD50 orally in rats: 400 mg/kg (Cummins, Kimura)

RTECS

BO3151000

Synonyms & References

English

Benzalkonium chloride
Benzalkonium (C8-C16) chloride
N-Alkyl (C8-C18)-N-benzyl-N,N-dimethylammoniumchloride
Alkyl Dimethyl Benzyl Ammonium Chloride (Benzalkoniumchloride)
ADBAC
N-alkyl dimethyl benzyl Ammonium Chloride Alkyl
Alkyl dimethyl benzyl ammonium chloride
Benzolkonium chloride
C8-18-Alkylbenzyldimethylammonium chloride
1227
BenzalkoniuM chloride, alkyl distribution froM C8H17 to C16H33
Alkylbenzyldimethylammonium chloride
Alkyldimethylbenzylammonium chloride
Benzalkonium chloride， 1227 ，Polyquaternary compound
Benzalkonium Bromide
BENZALKONIUM CHLORIDE, BP 99+%
BenzalkoniumChlorideB.P.
BenzalkoniumChloridePure
BENZALKONIUM CHLORIDE, PHARMA
BENZALKONIUM CHLORIDE SOLUTION 10%
BENZALKONIUM CHLORIDE SOLUTION 50%, PHARMA
BENZALKONIUM CHLORIDE, POWDER
BENZALKONIUM CHLORIDE, GEL

MDL Number

MFCD00137276

EC Number

616-786-9

Customs Code

34021200

FAQ

What is N-Benzyl-N,N-dimethyl-1-tridecanaminium chloride (CAS: 8001-54-5)?

N-Benzyl-N,N-dimethyl-1-tridecanaminium chloride is a quaternary ammonium compound with the chemical formula C16H28ClN. It is a chloride salt characterized by its cationic structure, which includes a benzyl group, two methyl groups, and a long hydrocarbon chain. This compound is commonly used in organic chemistry for its surfactant properties and as a precursor in pharmaceutical and industrial applications.

What are the main uses of N-Benzyl-N,N-dimethyl-1-tridecanaminium chloride (CAS: 8001-54-5)?

N-Benzyl-N,N-dimethyl-1-tridecanaminium chloride finds applications in pharmaceuticals as a surfactant and emulsifying agent, in industrial settings for polymer processing, and in research for organic synthesis. It is also used in the formulation of topical medications and as a stabilizer in chemical products due to its unique amphiphilic nature.

Is N-Benzyl-N,N-dimethyl-1-tridecanaminium chloride (CAS: 8001-54-5) safe?

N-Benzyl-N,N-dimethyl-1-tridecanaminium chloride is generally considered safe when handled properly, but it may cause skin or eye irritation. Safety precautions include wearing gloves, safety goggles, and ensuring adequate ventilation. It is classified as a mild irritant, and adherence to standard chemical safety guidelines is recommended for its use in laboratories and industrial environments.

How should N-Benzyl-N,N-dimethyl-1-tridecanaminium chloride (CAS: 8001-54-5) be stored?

This compound should be stored in a cool, dry place, away from moisture and light, in airtight containers. It is stable under normal storage conditions but may degrade if exposed to high temperatures or humidity. Proper storage helps maintain its chemical integrity and prolong shelf life.