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2-(4-Aminophenoxy)naphthalene - >98.0%(GC)(T), high purity , CAS No.71311-83-6
Basic Description
Synonyms
71311-83-6 | 2-(4-Aminophenoxy)naphthalene | 4-(naphthalen-2-yloxy)aniline | 4-naphthalen-2-yloxyaniline | 4-(2-naphthyloxy)aniline | Benzenamine, 4-(2-naphthalenyloxy)- | Oprea1_218318 | SCHEMBL1177704 | DTXSID50393853 | FLSZEMCAUKGBBK-UHFFFAOYSA-N | 4-(2-Naphthalenyloxy)-b
Specifications & Purity
≥98%(GC)(T)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylethers
Alternative Parents
Naphthalenes Phenoxy compounds Phenol ethers Aniline and substituted anilines Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Diaryl ether - Naphthalene - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
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.
Names and Identifiers
IUPAC Name
4-naphthalen-2-yloxyaniline
INCHI
InChI=1S/C16H13NO/c17-14-6-9-15(10-7-14)18-16-8-5-12-3-1-2-4-13(12)11-16/h1-11H,17H2
InChIKey
FLSZEMCAUKGBBK-UHFFFAOYSA-N
Smiles
C1=CC=C2C=C(C=CC2=C1)OC3=CC=C(C=C3)N
Isomeric SMILES
C1=CC=C2C=C(C=CC2=C1)OC3=CC=C(C=C3)N
Molecular Weight
235.29
Reaxy-Rn
2843077
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2843077&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
235.280 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
235.1 Da
Monoisotopic Mass
235.1 Da
Topological Polar Surface Area
35.300 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
260.000
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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