1-Ethoxynaphthalene - ≥95%(GC) , CAS No.5328-01-8

CAS: 5328-01-8 Cat. No.: E156095 分子式: C₁₂H₁₂O 分子量: 172.23 Beilstein Registry Number: 6(4)4212 EC番号: 226-213-0

グレード＆純度 ≥95%(GC)

Synonyms

Ethyl 1-naphthyl ether | 1-Ehoxynaphthalene | alpha-Ethoxynaphthalene | Ethyl alpha-naphthyl ether | KPT9T4S9QZ | Ethyl .alpha.-naphthyl ether | NSC-4174

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Ethyl 1-naphthyl ether | 1-Ehoxynaphthalene | alpha-Ethoxynaphthalene | Ethyl alpha-naphthyl ether | KPT9T4S9QZ | Ethyl .alpha.-naphthyl ether | NSC-4174

仕様と純度

≥95%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥95%(GC)

名前と識別子

パブケム・シド

504753034

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504753034

カノニカル・スマイル

CCOC1=CC=CC2=CC=CC=C21

IUPAC Name

1-ethoxynaphthalene

InChIKey

APWZAIZNWQFZBK-UHFFFAOYSA-N

INCHI

1S/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3

異性体SMILES

CCOC1=CC=CC2=CC=CC=C21

分子量

172.23

Beilstein

6(4)4212

Reaxy-Rn

1939305

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1939305&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

化学的性質と物理的性質

• 屈折率: 1.6
• 分子量: 172.220 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 172.089 Da
• Monoisotopic Mass: 172.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 155.000
• 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