N-Benzyl-N,N-dibutyl-1-butanaminium chloride

Basic Information

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CAS Number

23616-79-7

Molecular Formula

C19H34ClN

Molecular Weight

311.9 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

155-163 °C

Boiling Point

466.93°C (rough estimate)

Refractive Index

1.6000 (estimate)

SMILES

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

InChI

InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1

InChIKey

VJGNLOIQCWLBJR-UHFFFAOYSA-M

LogP

2.40770

Complexity

196

Safety Information

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GHS Hazard Pictograms

H302

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Sensitiveness

Hygroscopic

Synonyms & References

English

C19H34ClN
CS-0020806
Benzenemethanaminium, N,N,N-tributyl-, chloride
FT-0622788
TRIBUTYLBENZYLAMMONIUM CHLORIDE
A816807
EINECS 245-787-3
N-Benzyl-N,N-dibutylbutan-1-aminium chloride
MFCD00011849
J-519836
Benzyltributylammonium chloride
tri-n-Butylbenzylammonium chloride
benzyl tributylammonium chloride
HY-ER019
tributylbenzyl ammonium chloride
benzyltributyl ammonium chloride
SCHEMBL194044
J-015167
AS-12198
Benzenemethanaminium, N,N,N-tributyl-, chloride (1:1)
AKOS015833144
Benzyl tributyl ammonium chloride
benzyl(tributyl)azanium;chloride
FT-0658152
tri n-butyl benzyl ammonium chloride
Benzyltri-n-butylammonium chloride
benzyltributylamonium chloride
benzyl-tri(n-butyl)ammonium chloride
NS00084641
benzyl tri-n-butylammonium chloride
VJGNLOIQCWLBJR-UHFFFAOYSA-M

MDL Number

MFCD00011849

Customs Code

29239000

FAQ

What is N-Benzyl-N,N-dibutyl-1-butanaminium chloride (CAS: 23616-79-7)?

N-Benzyl-N,N-dibutyl-1-butanaminium chloride (CAS: 23616-79-7) is a quaternary ammonium compound with the chemical formula C16H32ClN. It is a water-soluble, crystalline solid with a characteristic amine chloride odor. The compound is commonly used in organic synthesis and as a catalyst due to its ability to stabilize charged intermediates. Its structure includes a benzyl group and two butyl chains attached to a central nitrogen atom, forming a positively charged ion paired with a chloride counterion.

What are the main uses of N-Benzyl-N,N-dibutyl-1-butanaminium chloride (CAS: 23616-79-7)?

N-Benzyl-N,N-dibutyl-1-butanaminium chloride (CAS: 23616-79-7) is primarily used in pharmaceuticals as a surfactant and emulsifying agent. It also serves as an intermediate in the production of specialty chemicals, including dyes and pesticides. In research settings, it is employed in polymer science and as a reagent for modifying surface properties. Its applications are broad, leveraging its amphiphilic nature and ionic characteristics for industrial and scientific purposes.

Is N-Benzyl-N,N-dibutyl-1-butanaminium chloride (CAS: 23616-79-7) safe?

N-Benzyl-N,N-dibutyl-1-butanaminium chloride (CAS: 23616-79-7) is generally considered safe when handled properly. It may cause mild irritation to skin and eyes, so personal protective equipment (PPE) like gloves and goggles is recommended. Safety data sheets (SDS) indicate it is non-flammable and non-toxic in normal handling conditions. However, prolonged exposure or ingestion should be avoided, and standard lab safety protocols should be followed to ensure safe use.

How should N-Benzyl-N,N-dibutyl-1-butanaminium chloride (CAS: 23616-79-7) be stored?

N-Benzyl-N,N-dibutyl-1-butanaminium chloride (CAS: 23616-79-7) should be stored in a sealed, cool (below 25°C), and dry container. It is stable under normal conditions but should be protected from moisture and light to prevent degradation. Storage in a well-ventilated area is advisable to avoid accumulation of fumes. Keep away from incompatible materials and ensure proper labeling for safe handling and storage.