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

CAS: 106-52-5 Cat. No.: H156974 분자식: C₆H₁₃NO 분자량: 115.18 Beilstein Registry Number: 103024 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

508809724

정식 스마일

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

이성체 SMILES

CN1CCC(CC1)O

WGK 독일

3

분자량

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
    • 분류 Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

Chrna3 Neuronal acetylcholine receptor (756 Activities)

Discover Target: Chrna3

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water.
• 감도: air sensitive,Hygroscopic
• 굴절률: 1.4775
• 발화점(°F): 188°F
• 발화점(°C): 87°C
• 끓는점(°C): 200°C
• 녹는점(°C): 29-31°C
• 분자량: 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