4-(1-Piperazinylmethyl)benzonitrile

Basic Information

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CAS Number

89292-70-6

Molecular Formula

C12H15N3

Molecular Weight

17.03 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

SMILES

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C1CN(CCN1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H15N3/c13-9-11-1-3-12(4-2-11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2

InChIKey

RPOOHOJBILYQET-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

229

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1-(4-cyanobenzyl)-piperazine
RPOOHOJBILYQET-UHFFFAOYSA-N
1-(4-cyano-benzyl)-piperazine, AldrichCPR
Z57048947
H10493
HMS1780C10
1-(4-Cyanobenzyl)piperazine
AKOS000198971
1-(4-cyano-benzyl)-piperazine
4-[(piperazin-1-yl)methyl]benzonitrile
1-(4-Cyanobenzyl )piperazine
FS-2100
CS-0206406
4-(piperazin-1-ylmethyl)benzonitrile
EN300-10992
DTXSID40366197
BP-10458
4-(1-piperazinylmethyl)benzonitrile
alpha-(1-piperazinyl)-p-tolunitrile
4-(piperazin-1-ylmethyl)benzenecarbonitrile
A843123
89292-70-6
FT-0692347
4-cyanobenzylpiperazine
SCHEMBL1001038
MFCD04972584
4-((piperazin-1-yl)methyl)benzonitrile
N-(4-cyanobenzyl)piperazine

MDL Number

MFCD04972584

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-(1-Piperazinylmethyl)benzonitrile (CAS: 89292-70-6)?

4-(1-Piperazinylmethyl)benzonitrile (CAS: 89292-70-6) is a crystalline solid with a molecular weight of approximately 242.26 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, showing some tendency towards hydrolysis and electrophilic aromatic substitution reactions.

How is 4-(1-Piperazinylmethyl)benzonitrile (CAS: 89292-70-6) typically synthesized?

4-(1-Piperazinylmethyl)benzonitrile is typically synthesized by reacting piperazine with benzonitrile under basic conditions. The reaction is conducted in the presence of a suitable base like potassium hydroxide. The yield is generally around 75-85%, and the product is isolated by recrystallization from an appropriate solvent.

What industries use 4-(1-Piperazinylmethyl)benzonitrile (CAS: 89292-70-6)?

4-(1-Piperazinylmethyl)benzonitrile (CAS: 89292-70-6) is used in the pharmaceutical industry for its structural similarity to other bioactive compounds. It is also utilized in the polymer industry as a monomer and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-(1-Piperazinylmethyl)benzonitrile (CAS: 89292-70-6)?

When handling 4-(1-Piperazinylmethyl)benzonitrile (CAS: 89292-70-6), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Refer to the safety data sheet (SDS) for detailed handling and disposal instructions.