4-hydroxy-4-phenylpiperidine - ≥98%(GC) , CAS No.40807-61-2

CAS: 40807-61-2 Cat. No.: H137229 Fórmula: C₁₁H₁₅NO Peso molecular: 177.25 Beilstein Registry Number: 21(3/4)647 Número CE: 255-089-0

GRADE & PURITY ≥98%(GC)

Synonyms

W-106331 | 4-phenyl-4-piperidol | AMY3467 | biotinyl-3,6-dioxaoctanediamine | (S)-2-[Diphenyl(trimethylsilanyloxy)methyl]pyrrolidine | NSC 71658 | SCHEMBL306026 | 4-hydroxy-4phenylpiperidine | 4-Hydroxy-4-phenylpiperidine | 4-hydroxy-4-phenyl-piperidine |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

W-106331 | 4-phenyl-4-piperidol | AMY3467 | biotinyl-3,6-dioxaoctanediamine | (S)-2-[Diphenyl(trimethylsilanyloxy)methyl]pyrrolidine | NSC 71658 | SCHEMBL306026 | 4-hydroxy-4phenylpiperidine | 4-Hydroxy-4-phenylpiperidine | 4-hydroxy-4-phenyl-piperidine |

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Sorrisos canónicos: C1CNCCC1(C2=CC=CC=C2)O
• IUPAC Name: 4-phenylpiperidin-4-ol
• InChIKey: KQKFQBTWXOGINC-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
• SMILES isoméricas: C1CNCCC1(C2=CC=CC=C2)O
• WGK Alemanha: 3
• Peso molecular: 177.25
• Beilstein: 21(3/4)647
• Reaxy-Rn: 141577
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141577&ln=

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: Aralkylamines Benzene and substituted derivatives Tertiary alcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 160 °C
• Peso molecular: 177.240 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.115 Da
• Monoisotopic Mass: 177.115 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 157.000
• 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

How should this product be stored?

Store at room temperature.

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 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 40807-61-2, the molecular formula is C11H15NO, and the molecular weight is 177.25 g/mol. InChIKey KQKFQBTWXOGINC-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.