2-(4-Aminophenoxy)naphthalene - ≥98%(GC)(T) , CAS No.71311-83-6

CAS: 71311-83-6 Cat. No.: A151444 Molecular Weight: 235.29

GRADE & PURITY ≥98%(GC)(T)

Synonyms

AM20041066 | Benzenamine, 4-(2-naphthalenyloxy)- | 4-(Naphthalen-2-yloxy)phenylamine | FLSZEMCAUKGBBK-UHFFFAOYSA-N | 4-naphthalen-2-yloxyaniline | T71259 | 4-(2-Naphthalenyloxy)-benzenamine | SCHEMBL1177704 | SB80652 | 2-(4-Aminophenoxy)naphthalene | (4-n

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AM20041066 | Benzenamine, 4-(2-naphthalenyloxy)- | 4-(Naphthalen-2-yloxy)phenylamine | FLSZEMCAUKGBBK-UHFFFAOYSA-N | 4-naphthalen-2-yloxyaniline | T71259 | 4-(2-Naphthalenyloxy)-benzenamine | SCHEMBL1177704 | SB80652 | 2-(4-Aminophenoxy)naphthalene | (4-n

Specifications & Purity

≥98%(GC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)(T)

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)OC3=CC=C(C=C3)N
• IUPAC Name: 4-naphthalen-2-yloxyaniline
• InChIKey: FLSZEMCAUKGBBK-UHFFFAOYSA-N
• 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
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• 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.

DOI: 10.1186/s13321-016-0174-y

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