4-Piperidinylacetonitrile hydrochloride (1:1)

Basic Information

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CAS Number

153566-98-4

Molecular Formula

C7H13ClN2

Molecular Weight

53.49 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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Cl.N#CCC1CCNCC1

InChI

InChI=1S/C7H12N2.ClH/c8-4-1-7-2-5-9-6-3-7;/h7,9H,1-3,5-6H2;1H

InChIKey

ZMGVIBYONJXGRF-UHFFFAOYSA-N

LogP

0.5838

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

116

Synonyms & References

English

2-(Piperidin-4-yl)acetonitrile hydrochloride
2-(4-Piperidyl)acetonitrile hydrochloride
4-Piperidineacetonitrile, hydrochloride
FT-0684980
PIPERIDIN-4-YLACETONITRILE HYDROCHLORIDE
RP08891
SureCN1978311
4-piperidinylacetonitrile hydrochloride
2-(Piperidin-4-yl)acetonitrile, hydrochloride
ZMGVIBYONJXGRF-UHFFFAOYSA-N
4777AD
NE49295
2-piperidin-4-ylacetonitrile hydrochloride
(Piperidin-4-yl)acetonitrile--hydrogen chloride (1/1)
2-(piperidin-4-yl)acetonitrile hydrochloride

MDL Number

MFCD12026392

FAQ

What are the physical and chemical properties of 4-Piperidinylacetonitrile hydrochloride (CAS: 153566-98-4)?

4-Piperidinylacetonitrile hydrochloride (CAS: 153566-98-4) is a crystalline compound with a molecular weight of approximately 219.7 g/mol. It has a solubility in water of 3.4 g/L at 25°C. It is slightly soluble in ethanol and acetone. The compound is stable in neutral and acidic media but is susceptible to hydrolysis in basic conditions. It reacts readily with acids to form the corresponding acetonitrile derivative.

How is 4-Piperidinylacetonitrile hydrochloride (CAS: 153566-98-4) typically synthesized?

4-Piperidinylacetonitrile hydrochloride (CAS: 153566-98-4) is typically synthesized by the reaction of 4-piperidinylacetonitrile with hydrochloric acid. The reaction is carried out under mild conditions, generally at room temperature, and proceeds with a high yield of up to 95%. The compound is isolated by filtration and recrystallization from water.

What industries use 4-Piperidinylacetonitrile hydrochloride (CAS: 153566-98-4)?

4-Piperidinylacetonitrile hydrochloride (CAS: 153566-98-4) is primarily used in pharmaceutical industries for the synthesis of intermediates and active pharmaceutical ingredients. It is also used in research for studying chemical reactions and in analytical chemistry for sensor development. Its applications include the production of certain drugs and as a reagent in organic synthesis.

What precautions should be taken when handling 4-Piperidinylacetonitrile hydrochloride (CAS: 153566-98-4)?

When handling 4-Piperidinylacetonitrile hydrochloride (CAS: 153566-98-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or fume hood to avoid inhalation of the compound. Spills should be handled using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal procedures.