3-Bromopiperidin-2-one - ≥95% , CAS No.34433-86-8

CAS: 34433-86-8 Cat. No.: B588801 Summenformel: C₅H₈BrNO Molekulargewicht: 178.03 EG-Nummer: 252-023-2

GRADE & PURITY ≥95%

Synonyms

3-Bromo-2-piperidinone | 3-Bromo-3,4,5,6-tetrahydropyridin-2-ol | 3-Bromopiperidin-2-one | MFCD09834399 | SCHEMBL5029979 | EINECS 252-023-2 | 2-Piperidinone, 3-bromo- | 3-Bromo-2-piperidone | SY105168 | FT-0757492 | a-Bromovalerolactam | F30215 | SB43052

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

3-Bromo-2-piperidinone | 3-Bromo-3,4,5,6-tetrahydropyridin-2-ol | 3-Bromopiperidin-2-one | MFCD09834399 | SCHEMBL5029979 | EINECS 252-023-2 | 2-Piperidinone, 3-bromo- | 3-Bromo-2-piperidone | SY105168 | FT-0757492 | a-Bromovalerolactam | F30215 | SB43052

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508809001

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809001

Kanonisches Lächeln

C1CC(C(=O)NC1)Br

IUPAC Name

3-bromopiperidin-2-one

InChIKey

CJFHQJDFNSXAOC-UHFFFAOYSA-N

INCHI

1S/C5H8BrNO/c6-4-2-1-3-7-5(4)8/h4H,1-3H2,(H,7,8)

Isomere SMILES

C1CC(C(=O)NC1)Br

Molekulargewicht

178.03

Reaxy-Rn

108793

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108793&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Delta lactams Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta-lactam - Piperidinone - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Alkyl bromide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 178.030 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 176.979 Da
• Monoisotopic Mass: 176.979 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 105.000
• 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