4-acetylpiperazin-2-one - ≥97% , CAS No.17796-61-1

CAS: 17796-61-1 Cat. No.: A175011 Formula: C₆H₁₀N₂O₂ Peso molecolare: 142.158

GRADE & PURITY ≥97%

Synonyms

AS-53093 | DTXSID301313922 | FT-0710282 | AKOS008930826 | MFCD17270431 | SB23154 | 2-Piperazinone, 4-acetyl- | ISNPMTVERREURB-UHFFFAOYSA-N | P16067 | SY100426 | 4-acetyl-2-Piperazinone | PW3 | AMY34922 | 4-Acetyl-Piperazin-2-One | 4-acetylpiperazin-2-one

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AS-53093 | DTXSID301313922 | FT-0710282 | AKOS008930826 | MFCD17270431 | SB23154 | 2-Piperazinone, 4-acetyl- | ISNPMTVERREURB-UHFFFAOYSA-N | P16067 | SY100426 | 4-acetyl-2-Piperazinone | PW3 | AMY34922 | 4-Acetyl-Piperazin-2-One | 4-acetylpiperazin-2-one

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC(=O)N1CCNC(=O)C1

IUPAC Name

4-acetylpiperazin-2-one

InChIKey

ISNPMTVERREURB-UHFFFAOYSA-N

INCHI

1S/C6H10N2O2/c1-5(9)8-3-2-7-6(10)4-8/h2-4H2,1H3,(H,7,10)

Isomeri SMILES

CC(=O)N1CCNC(=O)C1

Peso molecolare

142.158

Reaxy-Rn

743370

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743370&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Piperazines Tertiary carboxylic acid amides Acetamides Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 142.160 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.074 Da
• Monoisotopic Mass: 142.074 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 167.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 17796-61-1, the molecular formula is C6H10N2O2, and the molecular weight is 142.158 g/mol. InChIKey ISNPMTVERREURB-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.