4′-Piperazinoacetophenone - ≥94% , CAS No.51639-48-6

CAS: 51639-48-6 Cat. No.: P170727 Fórmula: C₁₂H₁₆N₂O Peso molecular: 204.27 Número CE: 257-332-6 PubChem CID: 97269

GRADE & PURITY ≥94%

Synonyms

1-(4-piperazin-1-ylphenyl)ethanone | 1-(4-Piperazin-1-yl-phenyl)ethanone | 1-(4-Piperazin-1-yl-phenyl)-ethanone | AMY5264 | 4-piperazino acetophenone | 1-(p-acetylphenyl)piperazine | 4'-(1-piperazinyl)acetophenone | Methionine, methyl ester, hydrochloride

Storage

Room temperature

Shipped In

Normal

Visão geral

4′-Piperazinoacetophenone was used as sensitizer-linked amine to study the triplet-triplet energy transfer from cation to anion in crystalline salts.

Specifications

Sinónimos

1-(4-piperazin-1-ylphenyl)ethanone | 1-(4-Piperazin-1-yl-phenyl)ethanone | 1-(4-Piperazin-1-yl-phenyl)-ethanone | AMY5264 | 4-piperazino acetophenone | 1-(p-acetylphenyl)piperazine | 4'-(1-piperazinyl)acetophenone | Methionine, methyl ester, hydrochloride

Especificações e pureza

≥94%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥94%

Nomes e identificadores

• Pubchem Sid: 488187045
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187045
• Sorrisos canónicos: CC(=O)C1=CC=C(C=C1)N2CCNCC2
• IUPAC Name: 1-(4-piperazin-1-ylphenyl)ethanone
• InChIKey: KPXVKKBJROCIJB-UHFFFAOYSA-N
• INCHI: 1S/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
• SMILES isoméricas: CC(=O)C1=CC=C(C=C1)N2CCNCC2
• WGK Alemanha: 3
• PubChem CID: 97269
• Peso molecular: 204.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpiperazines N-arylpiperazines Acetophenones Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Acetophenone - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aryl alkyl ketone - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary amine - Secondary amine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

Alvos associados (humanos)

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 204.270 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.126 Da
• Monoisotopic Mass: 204.126 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 216.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥94% 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 51639-48-6, the molecular formula is C12H16N2O, and the molecular weight is 204.27 g/mol. InChIKey KPXVKKBJROCIJB-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.