1-Ethyl-4-phenylpiperazine , CAS No.57498-25-6

CAS: 57498-25-6 Cat. No.: E668199 Fórmula: C₁₂H₁₈N₂ Peso molecular: 190.28 PubChem CID: 258214

Synonyms

1-Ethyl-4-phenylpiperazine | 1-ethyl-4-phenyl-piperazine | NSC 86989 | Piperazine, 1-ethyl-4-phenyl- | NSC86989 | ethyl-4-phenyl piperazine | NCIOpen2_000986 | 1-Ethyl-4-phenylpiperazine # | DTXSID00293051 | BDBM50241437 | NSC-86989 | AKOS006241941 | FT-0

Storage

Room temperature

Specifications

Sinónimos

1-Ethyl-4-phenylpiperazine | 1-ethyl-4-phenyl-piperazine | NSC 86989 | Piperazine, 1-ethyl-4-phenyl- | NSC86989 | ethyl-4-phenyl piperazine | NCIOpen2_000986 | 1-Ethyl-4-phenylpiperazine # | DTXSID00293051 | BDBM50241437 | NSC-86989 | AKOS006241941 | FT-0

Condições de armazenamento de armazenamento

Room temperature

Propriedades do produto

• ALogP: 2.2

Nomes e identificadores

• Sorrisos canónicos: CCN1CCN(CC1)C2=CC=CC=C2
• IUPAC Name: 1-ethyl-4-phenylpiperazine
• InChIKey: QUFYPJILXRCKSB-UHFFFAOYSA-N
• INCHI: 1S/C12H18N2/c1-2-13-8-10-14(11-9-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
• SMILES isoméricas: CCN1CCN(CC1)C2=CC=CC=C2
• PubChem CID: 258214
• Peso molecular: 190.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organopnictogen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to 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)

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (1 Activities)

Discover Target: CHRNA7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 190.280 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.147 Da
• Monoisotopic Mass: 190.147 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 156.000
• 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

How should this product be stored?

Store at room temperature.

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

The CAS Number is 57498-25-6, the molecular formula is C12H18N2, and the molecular weight is 190.28 g/mol. InChIKey QUFYPJILXRCKSB-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.