2-(1-Piperidyl)benzylamine Hydrochloride - ≥95% , CAS No.1427475-24-8

CAS: 1427475-24-8 Cat. No.: P1043132 Peso molecular: 226.740

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CCN(CC1)C2=CC=CC=C2CN.Cl
• IUPAC Name: (2-piperidin-1-ylphenyl)methanamine;hydrochloride
• InChIKey: MAOJQJLMJVQRBE-UHFFFAOYSA-N
• INCHI: 1S/C12H18N2.ClH/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14;/h2-3,6-7H,1,4-5,8-10,13H2;1H
• Peso molecular: 226.740

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: Phenylmethylamines Dialkylarylamines Benzylamines Aniline and substituted anilines Aralkylamines Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Azacycle - Primary amine - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - 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: 226.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.124 Da
• Monoisotopic Mass: 226.124 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 164.000
• 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: 2

XLogP3