6-メトキシキノリン - ≥96% , CAS No.5263-87-6

CAS: 5263-87-6 Cat. No.: M105654 分子式: C₁₀H₉NO 分子量: 159.18 Beilstein Registry Number: 115244 EC番号: 226-077-2

GRADE & PURITY ≥96%

Synonyms

FEMA NO. 4640 | EN300-23867 | Methyl 6-quinolyl ether | HY-W017232 | FT-0621202 | MFCD00006800 | SB67501 | AMY21891 | STR09836 | AC-18179 | InChI=1/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H | FS-3598 | H10211 | AI3-16316 | BBL027610 | Z166628264 |

Storage

アルゴン・チャージ

Shipped In

ノーマル

Specifications

同義語

FEMA NO. 4640 | EN300-23867 | Methyl 6-quinolyl ether | HY-W017232 | FT-0621202 | MFCD00006800 | SB67501 | AMY21891 | STR09836 | AC-18179 | InChI=1/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H | FS-3598 | H10211 | AI3-16316 | BBL027610 | Z166628264 |

仕様と純度

≥96%

保管条件

アルゴン・チャージ

入荷

ノーマル

純度

≥96%

名前と識別子

パブケム・シド

488182037

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182037

カノニカル・スマイル

COC1=CC2=C(C=C1)N=CC=C2

IUPAC Name

6-methoxyquinoline

InChIKey

HFDLDPJYCIEXJP-UHFFFAOYSA-N

INCHI

1S/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3

異性体SMILES

COC1=CC2=C(C=C1)N=CC=C2

WGKドイツ

3

分子量

159.18

Beilstein

115244

Reaxy-Rn

115244

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115244&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Anisole - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• External Descriptors: aromatic ether - quinolines

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（人間）

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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 Alcohol
• 感度: air sensitive ；light sensitive
• 融点（°C）: 20 °C
• 屈折率: 1.625
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 140-146 °C/15 mmHg
• 融点（°C）: 18-20°C
• 分子量: 159.180 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.068 Da
• Monoisotopic Mass: 159.068 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). 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.

How should this product be stored?

Store in a cool place, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5263-87-6, the molecular formula is C10H9NO, and the molecular weight is 159.18 g/mol. InChIKey HFDLDPJYCIEXJP-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.