4-Bromophenylethylammonium Bromide - ≥99%(4 Times Purification) , CAS No.206559-45-7

CAS: 206559-45-7 Cat. No.: B494196 分子式: C₈H₁₁Br₂N 分子量: 280.99 EC番号: 674-060-7 PubChem CID: 2757090

Synonyms

206559-45-7|2-(4-bromophenyl)ethanamine Hydrobromide|4-Bromophenethylamine hydrobromide|2-(4-bromophenyl)ethanamine;hydrobromide|2-(4-bromophenyl)ethylamine hydrobromide|4-Bromophenethylaminehydrobromide|2-(4-Bromophenyl)Ethan-1-Amine Hydrobromide|SCHEMBL

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

206559-45-7 | 2-(4-bromophenyl)ethanamine Hydrobromide | 4-Bromophenethylamine hydrobromide | 2-(4-bromophenyl)ethanamine;hydrobromide | 2-(4-bromophenyl)ethylamine hydrobromide | 4-Bromophenethylaminehydrobromide | 2-(4-Bromophenyl)Ethan-1-Amine Hydrobromide | SCHEMBL

仕様と純度

≥99%(4 Times Purification)

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

名前と識別子

パブケム・シド

488193052

カノニカル・スマイル

C1=CC(=CC=C1CCN)Br.Br

IUPAC Name

2-(4-bromophenyl)ethanamine;hydrobromide

InChIKey

IUWPMHYAMOUYKQ-UHFFFAOYSA-N

INCHI

1S/C8H10BrN.BrH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H

異性体SMILES

C1=CC(=CC=C1CCN)Br.Br

PubChem CID

2757090

分子量

280.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Bromobenzenes Aralkylamines Aryl bromides Organopnictogen compounds Organobromides Organic bromide salts Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Organic salt - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Organic bromide salt - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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

• 溶解度: Soluble in mostly organic solvent
• 感度: Moisture sensitive；air sensitive；light sensitive
• 融点（°C）: 272-274°
• 分子量: 280.990 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 280.924 Da
• Monoisotopic Mass: 278.926 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 87.300
• 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: 2

XLogP3