2,2′-Dimethoxy-1,1′-binaphthalene - ≥97% , CAS No.2960-93-2

CAS: 2960-93-2 Cat. No.: D169354 Molecular Weight: 314.38 EC Number: 621-151-4

GRADE & PURITY ≥97%

Synonyms

NSC37210 | NSC-37210 | BJAADAKPADTRCH-UHFFFAOYSA-N | NCGC00161024-04 | W-107866 | (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthyl | 1,1'-Binaphthalene, 2,2'-dimethoxy- | 2,2'-Dimethoxy-1,1'-binaphthalene | NCGC00161134-01 | (R)-(+)-2,2'-Dimethoxy-1,1'-binaphthalen

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NSC37210 | NSC-37210 | BJAADAKPADTRCH-UHFFFAOYSA-N | NCGC00161024-04 | W-107866 | (S)-(-)-2, 2'-Dimethoxy-1, 1'-binaphthyl | 1, 1'-Binaphthalene, 2, 2'-dimethoxy- | 2, 2'-Dimethoxy-1, 1'-binaphthalene | NCGC00161134-01 | (R)-(+)-2, 2'-Dimethoxy-1, 1'-binaphthalen

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488188871
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188871
• Canonical Smiles: COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OC
• IUPAC Name: 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene
• InChIKey: BJAADAKPADTRCH-UHFFFAOYSA-N
• INCHI: 1S/C22H18O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3
• Isomeric SMILES: COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OC
• WGK Germany: 3
• Molecular Weight: 314.38
• Reaxy-Rn: 2060769
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2060769&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HEK293 (82097 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Melt Point(°C): 196-200°C
• Molecular Weight: 314.400 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 314.131 Da
• Monoisotopic Mass: 314.131 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 371.000
• 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