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

CAS: 4096-20-2 Cat. No.: P160168 Fórmula: C₁₁H₁₅N Peso molecular: 161.25 Número CE: 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

Argon charged,Room temperature

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

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488182583
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182583
• Sorrisos canónicos: 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
• SMILES isoméricas: C1CCN(CC1)C2=CC=CC=C2
• PubChem CID: 20038
• Peso molecular: 161.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

HT-29 (80576 Activities)

Explore this target

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

MCF7 (126967 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Índice de refração: 1.5600 to 1.5640
• Ponto de inflamação (°C): 106 °C
• Ponto de ebulição (°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

Perguntas frequentes

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.