3-Bromopiperidine hydrobromide , CAS No.54288-72-1

CAS: 54288-72-1 Cat. No.: B170900 分子式: C₅H₁₁Br₂N 分子量: 244.96 EC番号: 852-889-7 PubChem CID: 22281820

Synonyms

3-Bromopiperidinehydrobromide | SB37594 | 3-bromopiperidine;hydrobromide | EN300-7457140 | 3-Bromopiperidine--hydrogen bromide (1/1) | AKOS016006689 | AM100929 | MFCD08059306 | FT-0647434 | DTXSID80624304 | 3-Bromopiperidine hydrobromide | 3-BROMO-PIPERID

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

3-Bromopiperidinehydrobromide | SB37594 | 3-bromopiperidine;hydrobromide | EN300-7457140 | 3-Bromopiperidine--hydrogen bromide (1/1) | AKOS016006689 | AM100929 | MFCD08059306 | FT-0647434 | DTXSID80624304 | 3-Bromopiperidine hydrobromide | 3-BROMO-PIPERID

保管条件

Room temperature

入荷

Normal

名前と識別子

カノニカル・スマイル

C1CC(CNC1)Br.Br

IUPAC Name

3-bromopiperidine;hydrobromide

InChIKey

BFEXEPRPMXJTEJ-UHFFFAOYSA-N

INCHI

1S/C5H10BrN.BrH/c6-5-2-1-3-7-4-5;/h5,7H,1-4H2;1H

異性体SMILES

C1CC(CNC1)Br.Br

PubChem CID

22281820

分子量

244.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives Hydrobromides Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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

化学的性質と物理的性質

• 分子量: 244.960 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 244.924 Da
• Monoisotopic Mass: 242.926 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 56.000
• 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