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

CAS: 106-52-5 Cat. No.: H156974 分子式: C₆H₁₃NO 分子量: 115.18 Beilstein Registry Number: 103024 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%(GC)

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

パブケム・シド

508809724

カノニカル・スマイル

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

異性体SMILES

CN1CCC(CC1)O

WGKドイツ

3

分子量

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
    • 分類 Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Chrna3 Neuronal acetylcholine receptor (756 Activities)

Discover Target: Chrna3

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water.
• 感度: air sensitive,Hygroscopic
• 屈折率: 1.4775
• 引火点（°F）: 188°F
• 引火点（°C）: 87°C
• 沸点（°C）: 200°C
• 融点（°C）: 29-31°C
• 分子量: 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