4-(Benzyloxy)pyridine - ≥98% , CAS No.49826-70-2

CAS: 49826-70-2 Cat. No.: B193585 Peso molecular: 185.22

GRADE & PURITY ≥98%

Synonyms

A852307 | SCHEMBL953509 | 4-Benzyloxypyridine | 4-BENZYLOXY-PYRIDINE | FT-0650048 | PYRIDINE, 4-(PHENYLMETHOXY)- | WBCDUONHBLSZED-UHFFFAOYSA-N | AKOS005255192 | Pyridine,4-(phenylmethoxy)- | DTXSID50490134 | DS-7147 | AB43755 | SY025692 | 4-phenylmethoxyp

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

A852307 | SCHEMBL953509 | 4-Benzyloxypyridine | 4-BENZYLOXY-PYRIDINE | FT-0650048 | PYRIDINE, 4-(PHENYLMETHOXY)- | WBCDUONHBLSZED-UHFFFAOYSA-N | AKOS005255192 | Pyridine, 4-(phenylmethoxy)- | DTXSID50490134 | DS-7147 | AB43755 | SY025692 | 4-phenylmethoxyp

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COC2=CC=NC=C2
• IUPAC Name: 4-phenylmethoxypyridine
• InChIKey: WBCDUONHBLSZED-UHFFFAOYSA-N
• INCHI: 1S/C12H11NO/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-9H,10H2
• Isómeros SMILES: C1=CC=C(C=C1)COC2=CC=NC=C2
• Peso molecular: 185.22
• Reaxy-Rn: 134434
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=134434&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

Propiedades químicas y físicas

• Sensibilidad: light & Moisture & air sensitive
• Peso molecular: 185.220 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 185.084 Da
• Monoisotopic Mass: 185.084 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 148.000
• 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