3-Aminopiperidine-2,6-dione hydrochloride - ≥98% , CAS No.24666-56-6

CAS: 24666-56-6 Cat. No.: A303287 Molecular Weight: 164.59 EC Number: 807-866-6

GRADE & PURITY ≥98%

Synonyms

MFCD11042437 | alpha-amino glutarimide hydrochloride | Spectrum_000321 | 2,6-Piperidinedione, 3-amino-, hydrochloride (1:1) | 3-amino-aza-cyclohexane 2,6-dione hydrochloride | 3-amino-piperidine-2,6-dione hydrochloride | 3-aminopiperidine-2,6-dione hydroc

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD11042437 | alpha-amino glutarimide hydrochloride | Spectrum_000321 | 2, 6-Piperidinedione, 3-amino-, hydrochloride (1:1) | 3-amino-aza-cyclohexane 2, 6-dione hydrochloride | 3-amino-piperidine-2, 6-dione hydrochloride | 3-aminopiperidine-2, 6-dione hydroc

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187824
• Canonical Smiles: C1CC(=O)NC(=O)C1N.Cl
• IUPAC Name: 3-aminopiperidine-2,6-dione;hydrochloride
• InChIKey: YCPULGHBTPQLRH-UHFFFAOYSA-N
• INCHI: 1S/C5H8N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H
• Isomeric SMILES: C1CC(=O)NC(=O)C1N.Cl
• Alternate CAS: 2686-86-4,24666-56-6
• Molecular Weight: 164.59
• Reaxy-Rn: 3914852
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3914852&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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Piperidinediones Delta lactams Aminopiperidines N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Piperidinedione - Piperidinone - Delta-lactam - 3-aminopiperidine - Piperidine - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

• Molecular Weight: 164.590 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.035 Da
• Monoisotopic Mass: 164.035 Da
• Topological Polar Surface Area: 72.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 155.000
• 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

References

1. Shuhe Wei, Yan Xiao, Hanwen Jiang, Frédéric Héraly, Liangshun Zhang, Wanyi Huang, Jiayin Yuan, Meidong Lang.  (2023)  Polypeptide-based vapor-responsive porous poly(ionic liquid) actuators: From reversible to unexpectedly irreversible actuation.  Materials Today Communications,      [PMID:] [10.1016/j.mtcomm.2023.105878]