2-Piperazinone - ≥98%(GC) , CAS No.5625-67-2

CAS: 5625-67-2 Cat. No.: P135012 Formula: C₄H₈N₂O Molecular Weight: 100.12 EC Number: 629-162-6 PubChem CID: 231360

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS000269318 | STK025825 | P1867 | BB 0218076 | oxopiperazine | 2-Oxopiperazine | 2-oxo-piperazine | 2-Oxopiperazine, 97% | piperazin-2-one;2-Oxopiperazine | W-203124 | keto piperazine | A8081 | 2-ketopiperazine | 2-Oxopiperazine--d6 | AM20100386 | FT-06

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

A heterocycle building block.

Specifications

Synonyms

AKOS000269318 | STK025825 | P1867 | BB 0218076 | oxopiperazine | 2-Oxopiperazine | 2-oxo-piperazine | 2-Oxopiperazine, 97% | piperazin-2-one;2-Oxopiperazine | W-203124 | keto piperazine | A8081 | 2-ketopiperazine | 2-Oxopiperazine--d6 | AM20100386 | FT-06

Specifications & Purity

≥98%(GC)

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488188822

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188822

Canonical Smiles

C1CNC(=O)CN1

IUPAC Name

piperazin-2-one

InChIKey

IWELDVXSEVIIGI-UHFFFAOYSA-N

INCHI

1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)

Isomeric SMILES

C1CNC(=O)CN1

WGK Germany

3

PubChem CID

231360

Molecular Weight

100.12

Reaxy-Rn

107796

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Piperazines Secondary carboxylic acid amides Lactams Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - 1,4-diazinane - Piperazine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture & Light sensitive
• x_boil_point_char: 164 °C/5 mmHg
• x_melt_point_char: 129-134°C
• Molecular Weight: 100.120 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.064 Da
• Monoisotopic Mass: 100.064 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 81.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5625-67-2, the molecular formula is C4H8N2O, and the molecular weight is 100.12 g/mol. InChIKey IWELDVXSEVIIGI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.