(S)-3-Amino-2-piperidone hydrochloride - ≥95% , CAS No.42538-31-8

CAS: 42538-31-8 Cat. No.: I170302 Molecular Weight: 150.61 EC Number: 803-746-2

GRADE & PURITY ≥95%

Synonyms

AS-30062 | EN300-243925 | SCHEMBL1066405 | L-Ornithine lactam (hydrochloride) | 3-(S)aminopiperidin-2-one hydrochloride | (s)-3-Amino-tetrahydropyridin-2-one hydrochloride | AKOS015849281 | (3S)-3-Amino-2-piperidinone hydrochloride (1:1) | (3S)-3-Aminopip

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application

S)-3-Amino-2-piperidone hydrochloride can be used as a building block for the synthesis of 5-hydroxy-2-[(3S)-2-oxo-3-piperidinyl]-1H-isoindole-1,3(2H)-dione by reacting with 4-hydroxyphthalic anhydride.[1] It is also used to prepare eukaryotic signaling peptide glorin and its synthetic analog glorinamide.

Specifications

Synonyms

AS-30062 | EN300-243925 | SCHEMBL1066405 | L-Ornithine lactam (hydrochloride) | 3-(S)aminopiperidin-2-one hydrochloride | (s)-3-Amino-tetrahydropyridin-2-one hydrochloride | AKOS015849281 | (3S)-3-Amino-2-piperidinone hydrochloride (1:1) | (3S)-3-Aminopip

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488201233
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201233
• Canonical Smiles: C1CC(C(=O)NC1)N.Cl
• IUPAC Name: (3S)-3-aminopiperidin-2-one;hydrochloride
• InChIKey: NLAYLURYAOXTTE-WCCKRBBISA-N
• INCHI: 1S/C5H10N2O.ClH/c6-4-2-1-3-7-5(4)8;/h4H,1-3,6H2,(H,7,8);1H/t4-;/m0./s1
• Isomeric SMILES: C1C[C@@H](C(=O)NC1)N.Cl
• WGK Germany: 3
• Molecular Weight: 150.61
• Reaxy-Rn: 3691669
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3691669&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Piperidinones Delta lactams Aminopiperidines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - 3-aminopiperidine - Delta-lactam - Piperidinone - Piperidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Hydrochloride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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: Air sensitive
• Melt Point(°C): 180-203 °C (decomposition)
• Molecular Weight: 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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