1-(Bromoacetyl)piperidine - ≥98% , CAS No.1796-25-4

CAS: 1796-25-4 Cat. No.: B168013 Summenformel: C₇H₁₂BrNO Molekulargewicht: 206.08 EG-Nummer: 876-105-8

GRADE & PURITY ≥98%

Synonyms

2-Bromo-1-(1-piperidinyl)ethanone | Piperidine, 1-(bromoacetyl)- | STL508160 | 2-Bromo-1-(piperidin-1-yl) ethan-1-one | BCP15055 | MFCD06800357 | FT-0677563 | Piperidine, 1-(bromoacetyl)- (7CI,8CI,9CI) | 2-Bromo-1-(1-piperidinyl)-1-ethanone | 2-bromo-1-(p

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-Bromo-1-(1-piperidinyl)ethanone | Piperidine, 1-(bromoacetyl)- | STL508160 | 2-Bromo-1-(piperidin-1-yl) ethan-1-one | BCP15055 | MFCD06800357 | FT-0677563 | Piperidine, 1-(bromoacetyl)- (7CI,8CI,9CI) | 2-Bromo-1-(1-piperidinyl)-1-ethanone | 2-bromo-1-(p

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488196843

Kanonisches Lächeln

C1CCN(CC1)C(=O)CBr

IUPAC Name

2-bromo-1-piperidin-1-ylethanone

InChIKey

GWJIPNKXIAJCPA-UHFFFAOYSA-N

INCHI

1S/C7H12BrNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2

Isomere SMILES

C1CCN(CC1)C(=O)CBr

Molekulargewicht

206.08

Reaxy-Rn

1100276

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100276&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass N-acylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: N-acylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acylpiperidines
• Alternative Parents: Tertiary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acyl-piperidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-acylpiperidines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of a piperidine.
• 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: 206.080 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 205.01 Da
• Monoisotopic Mass: 205.01 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 121.000
• 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