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

CAS: 4096-20-2 Cat. No.: P160168 Formule: C₁₁H₁₅N Poids moléculaire: 161.25 Numéro 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488182583

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1CCN(CC1)C2=CC=CC=C2

PubChem CID

20038

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Indice de réfraction: 1.5600 to 1.5640
• Point d'éclair (°C): 106 °C
• Point d'ébullition (°C): 258°C
• Poids moléculaire: 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

Foire aux questions

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.