1-(4-(Methylamino)piperidin-1-yl)ethanone hydrochloride - ≥95% , CAS No.71879-46-4

CAS: 71879-46-4 Cat. No.: M194747 Peso molecular: 192.69

GRADE & PURITY ≥95%

Synonyms

1-(4-(Methylamino)piperidin-1-yl)ethanonehydrochloride | A866348 | DTXSID30608831 | 1-[4-(Methylamino)piperidin-1-yl]ethan-1-one--hydrogen chloride (1/1) | RZYHSUNFANHIFI-UHFFFAOYSA-N | 1-acetyl-4-methylaminopiperidine hydrochloride | SB43009 | 1-[4-(meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-(4-(Methylamino)piperidin-1-yl)ethanonehydrochloride | A866348 | DTXSID30608831 | 1-[4-(Methylamino)piperidin-1-yl]ethan-1-one--hydrogen chloride (1/1) | RZYHSUNFANHIFI-UHFFFAOYSA-N | 1-acetyl-4-methylaminopiperidine hydrochloride | SB43009 | 1-[4-(meth

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488199801
• Sonrisas canónicas: CC(=O)N1CCC(CC1)NC.Cl
• IUPAC Name: 1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
• InChIKey: RZYHSUNFANHIFI-UHFFFAOYSA-N
• INCHI: 1S/C8H16N2O.ClH/c1-7(11)10-5-3-8(9-2)4-6-10;/h8-9H,3-6H2,1-2H3;1H
• Isómeros SMILES: CC(=O)N1CCC(CC1)NC.Cl
• Peso molecular: 192.69
• Reaxy-Rn: 13354621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13354621&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass N-acylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: N-acylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acylpiperidines
• Alternative Parents: Aminopiperidines Tertiary carboxylic acid amides Acetamides Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acyl-piperidine - 4-aminopiperidine - Tertiary carboxylic acid amide - Acetamide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acylpiperidines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of a piperidine.
• 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: 192.680 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.103 Da
• Monoisotopic Mass: 192.103 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 139.000
• 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

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