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

CAS: 57498-25-6 Cat. No.: E668199 Formule: C₁₂H₁₈N₂ Poids moléculaire: 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

Synonymes

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

Conditions de stockage de stockage

Room temperature

Propriétés du produit

• ALogP: 2.2

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: CCN1CCN(CC1)C2=CC=CC=C2
• PubChem CID: 258214
• Poids moléculaire: 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
• Description: 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

Cibles associées (humaines)

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Discover Target: CHRNA7

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.