1-Bencilpiperidina-4-carboxaldehído - ≥96%(GC) , CAS No.22065-85-6

CAS: 22065-85-6 Cat. No.: B133183 Peso molecular: 203.29 Número EC: 244-757-7

GRADE & PURITY ≥96%(GC)

Synonyms

1-Benzyl-4-piperidinecarboxaldehyde | 1-benzyl-4-piperidine-carboxaldehyde | BB 0262314 | SGIBOXBBPQRZDM-UHFFFAOYSA-N | AM20050357 | SR-01000944871-1 | 1-benylpiperidine-4-carboxaldehyde | MLS000565025 | SR-01000944871 | 4-piperidinecarboxaldehyde, 1-(phe

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

Suele utilizarse en la síntesis del donepezilo, un inhibidor reversible de la acetilcolinesterasa.

Specifications

Sinónimos

1-Benzyl-4-piperidinecarboxaldehyde | 1-benzyl-4-piperidine-carboxaldehyde | BB 0262314 | SGIBOXBBPQRZDM-UHFFFAOYSA-N | AM20050357 | SR-01000944871-1 | 1-benylpiperidine-4-carboxaldehyde | MLS000565025 | SR-01000944871 | 4-piperidinecarboxaldehyde, 1-(phe

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥96%(GC)

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCC1C=O)CC2=CC=CC=C2
• IUPAC Name: 1-benzylpiperidine-4-carbaldehyde
• InChIKey: SGIBOXBBPQRZDM-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2
• Isómeros SMILES: C1CN(CCC1C=O)CC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 203.29
• Reaxy-Rn: 1454307
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1454307&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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

• Solubilidad: Soluble in Acetone, Chloroform, Dichloromethane and Ethyl Acetate.
• Sensibilidad: heat & air sensitive
• Índice de refracción: 1.537
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 315.4 °C/760 mmHg
• Peso molecular: 203.280 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.131 Da
• Monoisotopic Mass: 203.131 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 191.000
• 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