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1-Ethylnaphthalene - 98%, high purity , CAS No.1127-76-0
Basic Description
Synonyms
SY051576 | DTXSID10870852 | UNII-P1MIE8TZ19 | AKOS015912536 | NSC59390 | NSC-59390 | .alpha.-Ethylnaphthalene | P1MIE8TZ19 | alpha-Ethylnaphthalene | MFCD00004049 | EINECS 214-432-4 | ES-2012 | MFCD00274663 | Naphthalene, 1-ethyl- | 1-ETHYLNAPHTHALENE | 1
Specifications & Purity
≥98%
Storage Temp
Protected from light,Argon charged
Shipped In
Normal
Product Description
1-Ethylnaphthalene has been employed as guest molecule to investigate:
effect of binding Tb3+ to sodium taurocholate aggregates containing polyaromatic hydrocarbon guests
its binding to aggregates of sodium cholate, taurocholate, deoxycholate and deoxytaurocholate
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
Description
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488181976
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181976
IUPAC Name
1-ethylnaphthalene
INCHI
InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3
InChIKey
ZMXIYERNXPIYFR-UHFFFAOYSA-N
Smiles
CCC1=CC=CC2=CC=CC=C21
Isomeric SMILES
CCC1=CC=CC2=CC=CC=C21
WGK Germany
3
RTECS
QJ6950000
Molecular Weight
156.22
Beilstein
1854417
Reaxy-Rn
1854417
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1854417&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light Sensitive,Air Sensitive
Refractive Index
1.606
Flash Point(°F)
231.8 °F
Flash Point(°C)
111°C(232°F)
Boil Point(°C)
258-260°C
Molecular Weight
156.220 g/mol
XLogP3
4.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
156.094 Da
Monoisotopic Mass
156.094 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
139.000
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
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