1-Phenylpiperidine - ≥98%(GC) , CAS No.4096-20-2

CAS: 4096-20-2 Cat. No.: P160168 Fórmula: C₁₁H₁₅N Peso molecular: 161.25 Número EC: 223-848-5 PubChem CID: 20038

GRADE & PURITY ≥98%(GC)

Synonyms

P2159 | EINECS 223-848-5 | FT-0652033 | MFCD00129777 | A18752 | NSC53427 | NSC-53427 | 1-phenyl piperidine | SY051417 | Piperidine, 1-phenyl- | DTXSID4063294 | N-(phenyl)piperidine | N-phenylpiperdine | AC7935 | phenylpiperidine | NSC 53427 | (2R,3R,4S,5R

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

P2159 | EINECS 223-848-5 | FT-0652033 | MFCD00129777 | A18752 | NSC53427 | NSC-53427 | 1-phenyl piperidine | SY051417 | Piperidine, 1-phenyl- | DTXSID4063294 | N-(phenyl)piperidine | N-phenylpiperdine | AC7935 | phenylpiperidine | NSC 53427 | (2R,3R,4S,5R

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488182583

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182583

Sonrisas canónicas

C1CCN(CC1)C2=CC=CC=C2

IUPAC Name

1-phenylpiperidine

InChIKey

LLSKXGRDUPMXLC-UHFFFAOYSA-N

INCHI

1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2

Isómeros SMILES

C1CCN(CC1)C2=CC=CC=C2

PubChem CID

20038

Peso molecular

161.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine 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

Objetivos asociados (humanos)

HT-29 (80576 Activities)

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

MCF7 (126967 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Índice de refracción: 1.5600 to 1.5640
• Punto de inflamación (°C): 106 °C
• Punto de ebullición (°C): 258°C
• Peso molecular: 161.240 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.12 Da
• Monoisotopic Mass: 161.12 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 121.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 4096-20-2, the molecular formula is C11H15N, and the molecular weight is 161.25 g/mol. InChIKey LLSKXGRDUPMXLC-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.