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

CAS: 5328-01-8 Cat. No.: E156095 분자식: C₁₂H₁₂O 분자량: 172.23 Beilstein Registry Number: 6(4)4212 EC 번호: 226-213-0

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥95%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥95%(GC)

이름과 식별자

Pubchem Sid

504753034

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCOC1=CC=CC2=CC=CC=C21

분자량

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
    • 분류 Naphthalenes

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

화학 및 물리적 특성

• 굴절률: 1.6
• 분자량: 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