(5S)-5-aminopiperidin-2-one hydrochloride - ≥97% , CAS No.672883-95-3

CAS: 672883-95-3 Cat. No.: S177131 Peso molecular: 150.61 Número EC: 800-925-7

GRADE & PURITY ≥97%

Synonyms

AS-50444 | (S)-5-Amino-piperidin-2-one hydrochloride, AldrichCPR | (5S)-5-Aminopiperidin-2-one HCl | (S)-5-AMINO-PIPERIDIN-2-ONE HYDROCHLORIDE | (S)-5-aminopiperidin-2-one hydrochloride | A9030 | EN300-1073067 | (S)-5-Aminopiperidin-2-onehydrochloride | (

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-50444 | (S)-5-Amino-piperidin-2-one hydrochloride, AldrichCPR | (5S)-5-Aminopiperidin-2-one HCl | (S)-5-AMINO-PIPERIDIN-2-ONE HYDROCHLORIDE | (S)-5-aminopiperidin-2-one hydrochloride | A9030 | EN300-1073067 | (S)-5-Aminopiperidin-2-onehydrochloride | (

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC(=O)NCC1N.Cl
• IUPAC Name: (5S)-5-aminopiperidin-2-one;hydrochloride
• InChIKey: KFJLLOJCPFYWRV-WCCKRBBISA-N
• INCHI: 1S/C5H10N2O.ClH/c6-4-1-2-5(8)7-3-4;/h4H,1-3,6H2,(H,7,8);1H/t4-;/m0./s1
• Isómeros SMILES: C1CC(=O)NC[C@H]1N.Cl
• Peso molecular: 150.61
• Reaxy-Rn: 30627875
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30627875&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Delta lactams Aminopiperidines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 3-aminopiperidine - Delta-lactam - Piperidinone - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
• 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: 150.610 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.056 Da
• Monoisotopic Mass: 150.056 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

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