clorhidrato de 1-bencil-4-metilpiperidin-3-ona - ≥97% , CAS No.1303968-15-1

CAS: 1303968-15-1 Cat. No.: B190494 Peso molecular: 239.74

GRADE & PURITY ≥97%

Synonyms

1-BENZYL-4-METHYL-PIPERIDIN-3-ONE HYDROCHLORIDE | 1-Benzyl-4-methylpiperidin-3-one hydrochloride | 3-Piperidinone, 4-methyl-1-(phenylmethyl)-, hydrochloride (1:1) | 1-Benzyl-4-methyl-3-piperidinone Hydrochloride | MFCD18914352 | AKOS025286033 | SY115046 |

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

1-BENZYL-4-METHYL-PIPERIDIN-3-ONE HYDROCHLORIDE | 1-Benzyl-4-methylpiperidin-3-one hydrochloride | 3-Piperidinone, 4-methyl-1-(phenylmethyl)-, hydrochloride (1:1) | 1-Benzyl-4-methyl-3-piperidinone Hydrochloride | MFCD18914352 | AKOS025286033 | SY115046 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1CCN(CC1=O)CC2=CC=CC=C2.Cl
• IUPAC Name: 1-benzyl-4-methylpiperidin-3-one;hydrochloride
• InChIKey: PZBKCGGUKLHTJJ-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO.ClH/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12;/h2-6,11H,7-10H2,1H3;1H
• Isómeros SMILES: CC1CCN(CC1=O)CC2=CC=CC=C2.Cl
• Peso molecular: 239.74
• Reaxy-Rn: 33874078
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33874078&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 Piperidinones Aralkylamines Trialkylamines Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenylmethylamine - Piperidinone - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - 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

• Sensibilidad: Moisture sensitive
• Peso molecular: 239.740 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 239.108 Da
• Monoisotopic Mass: 239.108 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 221.000
• 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