3-Piperidinone hydrochloride (1:1)

Basic Information

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CAS Number

61644-00-6

Molecular Formula

C5H10ClNO

Molecular Weight

135.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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C1CC(=O)CNC1.Cl

InChI

InChI=1S/C5H9NO.ClH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H

InChIKey

KDHKOJFFKXGPKZ-UHFFFAOYSA-N

LogP

0.36069999999999985

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

Piperidin-3-one hydrochloride
3-Piperidinone,hydrochloride (1:1)
3-piperidone hydrochloride
Piperidin-3-one hydrochloride hydrate
piperidin-3-one hydrochloride

MDL Number

MFCD06796739

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Piperidinone hydrochloride (CAS: 61644-00-6)?

3-Piperidinone hydrochloride is a crystalline solid with a molecular weight of 165.67 g/mol. It is slightly soluble in water and ethanol. It reacts with bases to form the free base and is stable under normal ambient conditions. Its solubility in water is 1.8 g/L at 25°C.

How is 3-Piperidinone hydrochloride (CAS: 61644-00-6) typically synthesized?

3-Piperidinone hydrochloride is typically synthesized by the reaction of 3-piperidone with hydrochloric acid. The reaction is carried out in a solvent like methanol under reflux conditions. The yield is generally around 90%, and the product is isolated by filtration and recrystallization.

What industries use 3-Piperidinone hydrochloride (CAS: 61644-00-6)?

3-Piperidinone hydrochloride is used in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It is also utilized in the polymer industry for the modification of polymers and in the sensor industry for the development of gas sensors. Additionally, it has applications in the semiconductor industry as a chemical intermediate.

What precautions should be taken when handling 3-Piperidinone hydrochloride (CAS: 61644-00-6)?

When handling 3-Piperidinone hydrochloride, ensure proper personal protective equipment (PPE) is worn, including gloves, safety glasses, and a lab coat. Work in a fume hood to avoid inhalation. Store the compound in a cool, dry place away from heat sources. In case of spill, neutralize with a base, then carefully dispose of the waste according to local regulations. Always consult the Safety Data Sheet (SDS) for additional safety information.