1-Acetyl-4-aminopiperidine hydrochloride - ≥96% , CAS No.214147-48-5

CAS: 214147-48-5 Cat. No.: A168578 Molecular Weight: 178.66 EC Number: 663-204-4

GRADE & PURITY ≥96%

Synonyms

1-(4-aminopiperidin-1-yl)ethanone,hydrochloride | MFCD08690151 | 1-(4-amino-piperidin-1-yl)-ethanone HCl | 1-(4-AMINOPIPERIDIN-1-YL)ETHANONE HCL | 4-Piperidinamine, 1-acetyl-, monohydrochloride | SY022645 | SB10093 | 1-Acetyl-4-Aminopiperidine HCl | AMY60

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-(4-aminopiperidin-1-yl)ethanone, hydrochloride | MFCD08690151 | 1-(4-amino-piperidin-1-yl)-ethanone HCl | 1-(4-AMINOPIPERIDIN-1-YL)ETHANONE HCL | 4-Piperidinamine, 1-acetyl-, monohydrochloride | SY022645 | SB10093 | 1-Acetyl-4-Aminopiperidine HCl | AMY60

Specifications & Purity

≥96%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488199476
• Canonical Smiles: CC(=O)N1CCC(CC1)N.Cl
• IUPAC Name: 1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
• InChIKey: AWKOGAFRLOPNOP-UHFFFAOYSA-N
• INCHI: 1S/C7H14N2O.ClH/c1-6(10)9-4-2-7(8)3-5-9;/h7H,2-5,8H2,1H3;1H
• Isomeric SMILES: CC(=O)N1CCC(CC1)N.Cl
• WGK Germany: 3
• Molecular Weight: 178.66
• Reaxy-Rn: 14214328
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14214328&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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 Azacyclic compounds Organic oxides Monoalkylamines 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 - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrochloride - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 240-245 °C
• Molecular Weight: 178.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.087 Da
• Monoisotopic Mass: 178.087 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• 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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