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

CAS: 57498-25-6 Cat. No.: E668199 分子式: C₁₂H₁₈N₂ 分子量: 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

仕様

同義語

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

保管条件

Room temperature

製品の性質

ALogP

2.2

名前と識別子

カノニカル・スマイル

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

異性体SMILES

CCN1CCN(CC1)C2=CC=CC=C2

PubChem CID

258214

分子量

190.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

作用メカニズム

化学的性質と物理的性質

• 分子量: 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

よくある質問

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.