1-(4-BIPHENYLYL)ISOQUINOLINE , CAS No.110746-63-9

CAS: 110746-63-9 Cat. No.: B165922 Formula: C₂₁H₁₅N Peso molecolare: 281.36 Numero EC: 660-107-9

Synonyms

1-(4-phenylphenyl)isoquinoline | DTXSID40401178 | 1-(4-Biphenylyl)-isochinolin | 1-(4-biphenylyl)isoquinoline | SCHEMBL11976487 | 1-[1,1'-biphenyl]-4-ylisoquinoline | 1-([1,1'-Biphenyl]-4-yl)isoquinoline | 1-(Biphenyl-4-yl)isoquinoline | AKOS022174762 | B

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-(4-phenylphenyl)isoquinoline | DTXSID40401178 | 1-(4-Biphenylyl)-isochinolin | 1-(4-biphenylyl)isoquinoline | SCHEMBL11976487 | 1-[1,1'-biphenyl]-4-ylisoquinoline | 1-([1,1'-Biphenyl]-4-yl)isoquinoline | 1-(Biphenyl-4-yl)isoquinoline | AKOS022174762 | B

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=CC4=CC=CC=C43

IUPAC Name

1-(4-phenylphenyl)isoquinoline

InChIKey

VASIFKDQQVGWTL-UHFFFAOYSA-N

INCHI

1S/C21H15N/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-20-9-5-4-8-18(20)14-15-22-21/h1-15H

Isomeri SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=CC4=CC=CC=C43

Peso molecolare

281.36

Reaxy-Rn

187886

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=187886&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenylpyridines Isoquinolines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyridine - Biphenyl - Isoquinoline - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 281.300 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 281.12 Da
• Monoisotopic Mass: 281.12 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 338.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 110746-63-9, the molecular formula is C21H15N, and the molecular weight is 281.36 g/mol. InChIKey VASIFKDQQVGWTL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.