3-(4-Methylphenyl)piperidine hydrochloride - ≥97% , CAS No.65367-98-8

CAS: 65367-98-8 Cat. No.: M1338078 Peso molecular: 211.74 Número EC: 895-795-1 PubChem CID: 45073817

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)C2CCCNC2.Cl
• IUPAC Name: 3-(4-methylphenyl)piperidine;hydrochloride
• InChIKey: JMZLKWZNRWZUSX-UHFFFAOYSA-N
• INCHI: 1S/C12H17N.ClH/c1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;/h4-7,12-13H,2-3,8-9H2,1H3;1H
• Isómeros SMILES: CC1=CC=C(C=C1)C2CCCNC2.Cl
• PubChem CID: 45073817
• Peso molecular: 211.74

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Toluenes Aralkylamines Quaternary ammonium salts Dialkylamines Azacyclic compounds Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Aralkylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Secondary aliphatic amine - Azacycle - Amine - Organic nitrogen compound - Organic salt - Organic chloride salt - Organonitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

• Peso molecular: 211.730 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 211.113 Da
• Monoisotopic Mass: 211.113 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 147.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3