3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile

Basic Information

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CAS Number

23996-16-9

Molecular Formula

C17H29N3

Molecular Weight

264.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

49.0 to 54.0 deg-C

Boiling Point

445.2±28.0 °C at 760 mmHg

Density

1.0±0.1 g/cm3

Flash Point

223.0±24.0 °C

Refractive Index

1.514

Vapor Pressure

0.0±1.1 mmHg at 25°C

SMILES

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CCCCCCCCCCCC1=NC=CN1CCC#N

InChI

InChI=1S/C17H29N3/c1-2-3-4-5-6-7-8-9-10-12-17-19-14-16-20(17)15-11-13-18/h14,16H,2-12,15H2,1H3

InChIKey

SZUPZARBRLCVCB-UHFFFAOYSA-N

LogP

5.366400000000005

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

269

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

FT-0737441
D89470
1-(2-Cyanoethyl)-2-undecylimidazole
UR29XPF6CF
3-(2-undecyl-1H-imidazol-1-yl)propanenitrile
EINECS 245-973-4
2-Undecyl-1H-imidazole-1-propiononitrile
UNII-UR29XPF6CF
AKOS027320944
C1965
SCHEMBL83434
MFCD00047050
3-(2-Undecyl-1-imidazolyl)propionitrile
A878068
1-Cyanoethyl-2-undecylimidazole
23996-16-9
YAA99616
CS-0323913
DTXSID1066948
3-(2-undecylimidazol-1-yl)propanenitrile
NS00027531
1H-Imidazole-1-propanenitrile, 2-undecyl-
1H-Imidazole-1-propanenitrile,2-undecyl-
1H-Imidazole-1-propanenitrile,2-undecyl
2-undecyl-1H-imidazole-1-propiononitrile
3-(2-undecyl-imidazol-1-yl)-propionitrile

MDL Number

MFCD00047050

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-16-9)?

3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile is a white crystalline solid. Its molecular weight is approximately 332.41 g/mol. It is poorly water-soluble but soluble in organic solvents like ethanol and acetone. It is reactive towards nucleophiles and can undergo hydrolysis under basic conditions.

How is 3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-16-9) typically synthesized?

3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile is typically synthesized by the reaction of 2-undecylimidazole with propionitrile. This process requires stirring and heating to ensure complete reaction. The yield is usually around 80%, and the reaction is catalyzed by a strong base such as sodium hydride.

What industries use 3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-16-9)?

3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile is primarily used in the pharmaceutical and polymer industries due to its antimicrobial properties and ability to form stable complexes. It can also be utilized in sensors and semiconductors for its electronic properties.

What precautions should be taken when handling 3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-16-9)?

Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn when handling 3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be immediately contained and cleaned up using appropriate procedures as detailed in the safety data sheet (SDS).