4-Bromophenylethylammonium Chloride - ≥99%(4 Times Purification) , CAS No.39260-89-4

CAS: 39260-89-4 Cat. No.: B494194 Formula: C₈H₁₁BrClN Molecular Weight: 236.5 PubChem CID: 19703973

Synonyms

39260-89-4|2-(4-BROMOPHENYL)ETHYLAMINE HYDROCHLORIDE|2-(4-bromophenyl)ethanamine;hydrochloride|2-(4-BROMO-PHENYL)-ETHYLAMINE HYDROCHLORIDE|4-BROMOPHENYLETHANAMINE, HCL|2-(4-bromophenyl)ethan-1-amine hydrochloride|2-(4-Bromo-phenyl)-ethylamine HCl|4-Bromop

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Application：

Perovskite Precursors

Specifications

Synonyms

39260-89-4 | 2-(4-BROMOPHENYL)ETHYLAMINE HYDROCHLORIDE | 2-(4-bromophenyl)ethanamine;hydrochloride | 2-(4-BROMO-PHENYL)-ETHYLAMINE HYDROCHLORIDE | 4-BROMOPHENYLETHANAMINE, HCL | 2-(4-bromophenyl)ethan-1-amine hydrochloride | 2-(4-Bromo-phenyl)-ethylamine HCl | 4-Bromop

Specifications & Purity

≥99%(4 Times Purification)

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488199728
• Canonical Smiles: C1=CC(=CC=C1CCN)Br.Cl
• IUPAC Name: 2-(4-bromophenyl)ethanamine;hydrochloride
• InChIKey: ZHAWIPAHUYMLDV-UHFFFAOYSA-N
• INCHI: 1S/C8H10BrN.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
• Isomeric SMILES: C1=CC(=CC=C1CCN)Br.Cl
• PubChem CID: 19703973
• Molecular Weight: 236.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: 2-arylethylamines Bromobenzenes Aralkylamines Aryl bromides Organobromides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 2-arylethylamine - Bromobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl bromide - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Hydrochloride - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in mostly organic solvent
• Sensitivity: Moisture sensitive；air sensitive；light sensitive
• Molecular Weight: 236.530 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 234.976 Da
• Monoisotopic Mass: 234.976 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

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