ethyl 2-(2-oxo-4-piperidyl)acetate - ≥97% , CAS No.102943-18-0

CAS: 102943-18-0 Cat. No.: E637372 Formule: C₉H₁₅NO₃ Poids moléculaire: 185.22 Numéro CE: 840-122-9 PubChem CID: 49759622

GRADE & PURITY ≥97%

Synonyms

Z1198307775 | ETHYL (2-OXOPIPERIDIN-4-YL)ACETATE | D86037 | EN300-222800 | AKOS006309731 | SCHEMBL4400125 | ethyl 2-(2-oxopiperidin-4-yl)acetate | ethyl2-(2-oxopiperidin-4-yl)acetate | MFCD11045364 | Ethyl 2-Oxopiperidine-4-acetate | ethyl 2-(2-oxo-4-pipe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Z1198307775 | ETHYL (2-OXOPIPERIDIN-4-YL)ACETATE | D86037 | EN300-222800 | AKOS006309731 | SCHEMBL4400125 | ethyl 2-(2-oxopiperidin-4-yl)acetate | ethyl2-(2-oxopiperidin-4-yl)acetate | MFCD11045364 | Ethyl 2-Oxopiperidine-4-acetate | ethyl 2-(2-oxo-4-pipe

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CCOC(=O)CC1CCNC(=O)C1

IUPAC Name

ethyl 2-(2-oxopiperidin-4-yl)acetate

InChIKey

SFBMPNSYLYPQDF-UHFFFAOYSA-N

INCHI

1S/C9H15NO3/c1-2-13-9(12)6-7-3-4-10-8(11)5-7/h7H,2-6H2,1H3,(H,10,11)

Isomères SMILES

CCOC(=O)CC1CCNC(=O)C1

CAS alternatif

102943-18-0

PubChem CID

49759622

Poids moléculaire

185.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Delta lactams Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta-lactam - Piperidinone - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 185.220 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 185.105 Da
• Monoisotopic Mass: 185.105 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 203.000
• 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: 1