4-Hydroxy-1-methylpiperidine - ≥98%(GC) , CAS No.106-52-5

CAS: 106-52-5 Cat. No.: H156974 Fórmula: C₆H₁₃NO Peso molecular: 115.18 Beilstein Registry Number: 103024 Número CE: 203-406-8

GRADE & PURITY ≥98%(GC)

Synonyms

A2034 | LF-0531 | BAUWRHPMUVYFOD-UHFFFAOYSA- | HY-W018626 | M0933 | 4-hydroxy-methylpiperidine | AM802881 | 1-methylpiperidine-4-ol | SCHEMBL7928 | W-108767 | NSC 60705 | STL163859 | 4-hydroxy-l-methylpiperidine | N-Methyl-4-hydroxypiperidine | N-methyl-4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

Reactant for: . Optimization of Novobiocin scaffold to product antitumor agents . Substitution about the rigidifying ring for histamine H4 receptor antagonist synthesis Reactant for synthesis of: . CaMKII inhibitors . VEGFR and FGFR kinase inhibitors . Phosphoinositide-3-kinase inhibitors . Protein lysine methyltransferase G9a inhibitors

Specifications

Sinónimos

A2034 | LF-0531 | BAUWRHPMUVYFOD-UHFFFAOYSA- | HY-W018626 | M0933 | 4-hydroxy-methylpiperidine | AM802881 | 1-methylpiperidine-4-ol | SCHEMBL7928 | W-108767 | NSC 60705 | STL163859 | 4-hydroxy-l-methylpiperidine | N-Methyl-4-hydroxypiperidine | N-methyl-4

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

508809724

Sorrisos canónicos

CN1CCC(CC1)O

IUPAC Name

1-methylpiperidin-4-ol

InChIKey

BAUWRHPMUVYFOD-UHFFFAOYSA-N

INCHI

1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3

SMILES isoméricas

CN1CCC(CC1)O

WGK Alemanha

3

Peso molecular

115.18

Beilstein

103024

Reaxy-Rn

103024

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103024&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Trialkylamines Secondary alcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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 (não humanos)

Chrna3 Neuronal acetylcholine receptor (756 Activities)

Discover Target: Chrna3

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Sensibilidade: air sensitive,Hygroscopic
• Índice de refração: 1.4775
• Ponto de inflamação (°F): 188°F
• Ponto de inflamação (°C): 87°C
• Ponto de ebulição (°C): 200°C
• Ponto de fusão (°C): 29-31°C
• Peso molecular: 115.170 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• 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