N,N-Dioctadecylaniline

Basic Information

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CAS Number

72072-19-6

Molecular Formula

C42H79N

Molecular Weight

598.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

40-41 ºC

Density

0.868±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (3.8E-10 g/L) (25 ºC),

SMILES

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CCCCCCCCCCCCCCCCCCN(c1ccccc1)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H79N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-43(42-38-34-33-35-39-42)41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-39H,3-32,36-37,40-41H2,1-2H3

InChIKey

JDEDKRLRGDEWKM-UHFFFAOYSA-N

LogP

15.015999999999964

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

459

Synonyms & References

English

N,N-Dioctadecylaniline
N-dioctadecylaniline
N,N-dioctadecyl-N-phenylamine
AMY6942

FAQ

What are the physical and chemical properties of N,N-Dioctadecylaniline (CAS: 72072-19-6)?

N,N-Dioctadecylaniline (CAS: 72072-19-6) is a crystalline solid with a molecular weight of approximately 368.5 g/mol. It has a high melting point, around 105-107°C, and low solubility in water. It is soluble in common organic solvents like ethanol, acetone, and toluene. Chemically, it is moderately reactive towards nucleophiles and electrophiles, often used in polymerization reactions and as a dopant in organic electronic materials.

How is N,N-Dioctadecylaniline (CAS: 72072-19-6) typically synthesized?

N,N-Dioctadecylaniline (CAS: 72072-19-6) is prepared through the alkylation of aniline with 1-dodecene. The reaction is usually conducted under basic conditions using potassium tert-butoxide as a catalyst. The process yields a high purity product with good selectivity and yield. The reaction is typically performed at room temperature, and the product can be isolated by filtration and recrystallization.

What industries use N,N-Dioctadecylaniline (CAS: 72072-19-6)?

N,N-Dioctadecylaniline (CAS: 72072-19-6) finds applications in various industries. It is used in the pharmaceutical sector as a precursor for the synthesis of certain drugs. In the polymer industry, it serves as an additive to enhance the mechanical properties of polymers. It also plays a role in the development of organic electronic materials, particularly as a dopant in organic semiconductors. Additionally, it is utilized in the production of sensors due to its unique electronic properties.

What precautions should be taken when handling N,N-Dioctadecylaniline (CAS: 72072-19-6)?

When handling N,N-Dioctadecylaniline (CAS: 72072-19-6), it is crucial to wear appropriate personal protective equipment (PPE) such as laboratory coats, gloves, and safety goggles. Ensure the work is conducted in a well-ventilated area or a fume hood to avoid inhalation exposure. Spills should be cleaned up using absorbent materials, and the residue should be disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and safety information.