1-Ethylpiperidine-2，4-dione - ≥95% , CAS No.99539-36-3

CAS: 99539-36-3 Cat. No.: E691571 Molecular Weight: 141.17 EC Number: 885-232-8 PubChem CID: 13784119

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Product Properties

• ALogP: -0.3

Names and Identifiers

• Canonical Smiles: CCN1CCC(=O)CC1=O
• IUPAC Name: 1-ethylpiperidine-2,4-dione
• InChIKey: YSBKSRFISPYBQD-UHFFFAOYSA-N
• INCHI: 1S/C7H11NO2/c1-2-8-4-3-6(9)5-7(8)10/h2-5H2,1H3
• Isomeric SMILES: CCN1CCC(=O)CC1=O
• PubChem CID: 13784119
• Molecular Weight: 141.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinediones
• Alternative Parents: Delta lactams 1,3-dicarbonyl compounds Tertiary carboxylic acid amides Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinedione - Delta-lactam - 1,3-dicarbonyl compound - Tertiary carboxylic acid amide - Cyclic ketone - Lactam - Ketone - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinediones. These are compounds containing a piperidine ring which bears two ketones.
• 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: 141.170 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.079 Da
• Monoisotopic Mass: 141.079 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 165.000
• 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: 1