(2S)-2-Piperazinylacetonitrile dihydrochloride

Basic Information

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CAS Number

2158301-19-8

Molecular Formula

C6H13Cl2N3

Molecular Weight

89.95 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.Cl.N#CC[C@H]1CNCCN1

InChI

InChI=1S/C6H11N3.2ClH/c7-2-1-6-5-8-3-4-9-6;;/h6,8-9H,1,3-5H2;2*1H/t6-;;/m0../s1

InChIKey

YHCNTTLRKUTDRD-ILKKLZGPSA-N

LogP

1.0056

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

124

Synonyms & References

English

2-(piperazin-2-yl)acetonitrile dihydrochloride
SY278804
2-Piperazin-2-ylacetonitrile dihydrochloride
(S)-2-(2-Piperazinyl)acetonitrile Dihydrochloride
2-[(2S)-piperazin-2-yl]acetonitrile dihydrochloride

MDL Number

MFCD32173174

FAQ

What are the physical and chemical properties of (2S)-2-Piperazinylacetonitrile dihydrochloride (CAS: 2158301-19-8)?

(2S)-2-Piperazinylacetonitrile dihydrochloride is a white crystalline solid with a molecular weight of approximately 218.8 g/mol. It has a high solubility in water and organic solvents. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored away from moisture and direct sunlight.

How is (2S)-2-Piperazinylacetonitrile dihydrochloride (CAS: 2158301-19-8) typically synthesized?

(2S)-2-Piperazinylacetonitrile dihydrochloride is typically synthesized by the reaction of (S)-2-piperazinylacetonitrile with hydrochloric acid in an aqueous medium. The process involves careful control of pH and temperature to ensure the formation of the dihydrochloride salt. The yield is generally around 85-90%, and the reaction is highly selective.

What industries use (2S)-2-Piperazinylacetonitrile dihydrochloride (CAS: 2158301-19-8)?

(2S)-2-Piperazinylacetonitrile dihydrochloride is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also utilized in the polymer industry for the development of new materials. Additionally, it has applications in the sensor industry for the fabrication of gas-sensing devices and in the semiconductor industry for specific chemical processes.

What precautions should be taken when handling (2S)-2-Piperazinylacetonitrile dihydrochloride (CAS: 2158301-19-8)?

When handling (2S)-2-Piperazinylacetonitrile dihydrochloride, it is essential to wear appropriate personal protective equipment, including gloves, safety goggles, and a lab coat. The substance should be handled in a fume hood to minimize exposure. In case of spills, they should be carefully cleaned up using absorbent materials, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.