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2-Piperazinone

CAS：5625-67-2
MW:100.121
MF：C4H8N2O

2-Piperazinone, with the chemical formula C4H8N2O and CAS registry number 5625-67-2, is a compound known for its applications in various fields. This white crystalline solid, also referred to as piperazin-2-one, is characterized by its piperazine and carbonyl functional groups. It is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. 2-Piperazinone exhibits a wide range of biological activities, including antiviral, antibacterial, and antifungal properties. It is also utilized as a corrosion inhibitor and a solvent in various industries. Overall, 2-Piperazinone is a versatile compound with diverse applications in chemistry and biology.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-Piperazinone

1.2 Synonyms: 2-ketopiperazine; 2-OXOPIPERAZINE; 2-OXOPIPERZAINE; 2-piperadone; 3-ketopiperazine; 3-oxo-piperazin; AKOS BBS-00007028; MFCD01318687; monoketopiperazine; oxopiperazine; PIPERAZIN-2-ONE; PIPERAZINE-2-ONE; PIPERAZINONE; piperazinyl-2-one; piperazone; TIMTEC-BB SBB000034;

1.3 CAS No.: 5625-67-2

1.4 CID: 231360

1.5 EINECS: 629-162-6

1.6 Molecular Formula: C4H8N2O

1.7 Inchi: InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)

1.8 InChkey: IWELDVXSEVIIGI-UHFFFAOYSA-N

1.9 Canonical Smiles: C1CNC(=O)CN1

1.10 Isomers Smiles: C1CNC(=O)CN1

2. Properties

2.1 Appearance: White to tan Crystalline Powder

2.2 Storage: Hygroscopic. Store under Nitrogen. Ambient temperatures.

2.3 Chemical Properties: solid 2-Piperazinone Preparation Products And Raw materials Raw materials

2.4 Color/Form: Pale-yellow to Yellow-brown Solid

2.5 pKa: 15.47±0.20(Predicted)

2.6 Water Solubility: Soluble in water. Soluble in ethanol, acetone, ethyl acetate

2.7 Stability: Stable, but may be light and moisture sensitive. Incompatible with oxidizing agents.

2.8 StorageTemp: Keep in dark place,Inert atmosphere,Room temperature

3. Use and Manufacturing

3.1 Description

2-Piperazinone, with the chemical formula C4H8N2O, has the CAS number 5625-67-2. It is a cyclic amide compound that appears as a white crystalline solid. It has no distinct odor. The basic structure of 2-Piperazinone consists of a piperazine ring with a carbonyl group attached to it. This compound is soluble in water. Safety information regarding 2-Piperazinone is not available.

Applicable Fields

Pharmaceuticals: 2-Piperazinone is used in the pharmaceutical industry as a building block for the synthesis of various drugs. Its mechanism of action in this field involves its ability to react with other compounds to form complex structures that exhibit desired pharmacological properties.

Storage

Conditions: Store in a cool and dry place.

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4. Safety and Handling

4.1 Safety: Hazard Codes:Xi
Risk Statements:36/37/38-43
36/37/38:Irritating to eyes, respiratory system and skin
43:May cause sensitization by skin contact
Safety Statements:26-36/37
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37:Wear suitable protective clothing and gloves
RIDADR:1759
WGK Germany:3
HazardClass:8
PackingGroup:III

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4.2 Sensitive: Hygroscopic

4.3 Specification: solid
Safety Statements:26-36/37
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37:Wear suitable protective clothing and gloves

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H317 May cause an allergic skin reaction H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

7. Computed Properties

Molecular Weight：100.121g/mol
Molecular Formula：C₄H₈N₂O
Compound Is Canonicalized：True
Exact Mass：-1.1
XLogP3-AA：100.063662883
Monoisotopic Mass：100.063662883
Complexity：81.8
Rotatable Bond Count：0
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：41.1
Heavy Atom Count：：7
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBjIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAAAADBgAQAAALAAAAIAAEQEAAAAAAAAAAAAICIAAAAQAAAACAQAAAAFgCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8.Other Information

Chemical Properties: solid

Uses: 2-Piperazinone (cas# 5625-67-2) is a compound useful in organic synthesis.

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10. Related Questions

: What is the synthesis method of 2-Piperazinone?Background and Overview 2-Piperazinone is an important heterocyclic compound that is widely found in various natural products and drug molecules. Compounds with a piperazinone skeleton often exhibit g..; What are the background, preparation, and applications of 2-Piperazinone?2-Piperazinone is an important organic synthetic intermediate and pharmaceutical intermediate used in the synthesis of drugs such as pyrazine, fluoroquinolones, piperazine acid, quinolone ketone, and ..

11. Realated Product Infomation