1-(Dimethylamino)cyclohexanecarbonitrile

Basic Information

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CAS Number

16499-30-2

Molecular Formula

C9H16N2

Molecular Weight

141.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

30 ºC

Boiling Point

112-113 ºC (17 Torr)

Flash Point

95.7±11.9 ºC,

SMILES

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CN(C)C1(CCCCC1)C#N

InChI

InChI=1S/C9H16N2/c1-11(2)9(8-10)6-4-3-5-7-9/h3-7H2,1-2H3

InChIKey

SDHHZJUUIBWPPN-UHFFFAOYSA-N

LogP

2.2708000000000004

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

169

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Z447993672
L8BPW3H92K
1-(dimethylamino)cyclohexane-1-carbonitrile
NSC525355
FT-0679015
1-(Dimethylamino)cyclohexanecarbonitrile
NSC-525355
16499-30-2
1-Cyano-N,N-dimethyl cyclohexylamine
AKOS005171308
CS-0447887
1-cyanocyclohexyldimethylamine
4-14-00-00976 (Beilstein Handbook Reference)
NSC 525355
UNII-L8BPW3H92K
LS-01647
MFCD00086186
EN300-97024
SDHHZJUUIBWPPN-UHFFFAOYSA-N
SCHEMBL2565999
1-(DIMETHYLAMINO)-CYCLOHEXANECARBONITRILE
Cyclohexanecarbonitrile, 1-(dimethylamino)-
A23522
BRN 2802545
DTXSID30167832
Cyclohexanecarbonitrile,1-(dimethylamino)-
1-(dimethylamino)cyclohexanecarbonitrile(SALTDATA: FREE)
1-(dimethylamino)cyclohexanecarbonitrile

MDL Number

MFCD00086186

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 1-(Dimethylamino)cyclohexanecarbonitrile (CAS: 16499-30-2)?

1-(Dimethylamino)cyclohexanecarbonitrile is a colorless to light yellow oil. It has a molecular weight of approximately 166.24 g/mol and a boiling point of 125-127°C. Its solubility in water is very low (less than 1 mg/L), but it is soluble in organic solvents like methanol, ethanol, and acetone. This compound is relatively stable under normal conditions but may undergo hydrolysis in basic media. It reacts with nucleophiles and can undergo electrophilic substitution reactions.

How is 1-(Dimethylamino)cyclohexanecarbonitrile (CAS: 16499-30-2) typically synthesized?

1-(Dimethylamino)cyclohexanecarbonitrile is usually synthesized by the reaction of cyclohexanecarbonitrile with dimethylamine in the presence of a catalyst such as hydrochloric acid. The reaction is exothermic and typically proceeds with good yield. The catalyst helps to improve the reaction selectivity and shorten the reaction time. The crude product can be purified by recrystallization from a suitable solvent.

What industries use 1-(Dimethylamino)cyclohexanecarbonitrile (CAS: 16499-30-2)?

1-(Dimethylamino)cyclohexanecarbonitrile is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the polymer industry for the modification of polymers, and in the sensor industry for the development of chemical sensors. Additionally, it can be used in the semiconductor industry for certain electronic applications.

What precautions should be taken when handling 1-(Dimethylamino)cyclohexanecarbonitrile (CAS: 16499-30-2)?

Proper personal protective equipment (PPE) should be used when handling 1-(Dimethylamino)cyclohexanecarbonitrile. This includes gloves, safety goggles, and a lab coat. It should be handled in a well-ventilated area or under a fume hood due to its potential to release toxic fumes during certain reactions. Spills should be cleaned up carefully, following standard safety procedures. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency protocols.