4-(4-Chlorophenoxy)piperidine - ≥98% , CAS No.97839-99-1

CAS: 97839-99-1 Cat. No.: C1369627 Peso molecular: 211.69 Número EC: 677-503-2

GRADE & PURITY ≥98%

Synonyms

ASINEX-REAGBAS09615184 | 4-(4-CHLORO-PHENOXY)-PIPERIDINE | 4-(4-chlorophenoxy)piperidine(SALTDATA:HCl) | 4-(4-Chloro-phnenoxy)-piperidine | Piperidine,4-(4-chlorophenoxy)-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

ASINEX-REAGBAS09615184 | 4-(4-CHLORO-PHENOXY)-PIPERIDINE | 4-(4-chlorophenoxy)piperidine(SALTDATA:HCl) | 4-(4-Chloro-phnenoxy)-piperidine | Piperidine, 4-(4-chlorophenoxy)-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC1OC2=CC=C(C=C2)Cl
• IUPAC Name: 4-(4-chlorophenoxy)piperidine
• InChIKey: VOQMPZXAFLPTMM-UHFFFAOYSA-N
• INCHI: 1S/C11H14ClNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
• Isómeros SMILES: C1CNCCC1OC2=CC=C(C=C2)Cl
• CAS alternativo: 97839-99-1
• Peso molecular: 211.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Piperidines Aryl chlorides Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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 and moisture sensitive
• Peso molecular: 211.690 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.076 Da
• Monoisotopic Mass: 211.076 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 163.000
• 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