Phenethylammonium bromide - ≥98% , CAS No.53916-94-2

CAS: 53916-94-2 Cat. No.: P408003 分子式: C₈H₁₂BrN 分子量: 202.09 EC番号: 811-843-6 PubChem CID: 70441016

GRADE & PURITY ≥98%

Synonyms

2-phenylethanamine;hydrobromide | 637STW7LE3 | 2-PHENYLETHYLAMINE HBR | 2-Phenylethylamine hydrobromide | T72591 | Benzeneethanamine hydrobromide (1:1) | MFCD29089369 | phenethylammonium bromide | Benzeneethanamine hydrobromide | phenethylamine hydrobromi

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

概要

Application：

Organohalide - based perovskite has become an important material for solar cell applications. Our perovskite precursor can be used to synthesize mixed cationic or anionic perovskites for the optimization of the band gap, carrier diffusion length and power conversion efficiency of perovskite-type solar cells.

Specifications

同義語

2-phenylethanamine;hydrobromide | 637STW7LE3 | 2-PHENYLETHYLAMINE HBR | 2-Phenylethylamine hydrobromide | T72591 | Benzeneethanamine hydrobromide (1:1) | MFCD29089369 | phenethylammonium bromide | Benzeneethanamine hydrobromide | phenethylamine hydrobromi

仕様と純度

≥98%

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 504771968
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504771968
• カノニカル・スマイル: C1=CC=C(C=C1)CCN.Br
• IUPAC Name: 2-phenylethanamine;hydrobromide
• InChIKey: IRAGENYJMTVCCV-UHFFFAOYSA-N
• INCHI: 1S/C8H11N.BrH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
• 異性体SMILES: C1=CC=C(C=C1)CCN.Br
• PubChem CID: 70441016
• 分子量: 202.09

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: Aralkylamines Quaternary ammonium salts Organic bromide salts Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Aralkylamine - Quaternary ammonium salt - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Organic cation - 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

• 感度: air & light & moisture sensitive
• 分子量: 202.090 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.015 Da
• Monoisotopic Mass: 201.015 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 65.000
• 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: 2

XLogP3

参考文献

1. Pengpeng Cheng, Zehan Liu, Ruyan Kang, Jian Zhou, Jia Zhao, Zhiyuan Zuo.  (2022)  Atmospheric All-Solution-Processed Perovskite Light-Emitting Diodes.  Physica Status Solidi-Rapid Research Letters,  17  (1): (2200295).  [PMID:] [10.1002/pssr.202200295]

2. Xiao Hongbin, Cui Enhao, Wang Junfang, Liu Tianhua, Wei Xiaofang, Huang Junjie, Abdel-Shakour Muhammad, Li Jie, Wang Chunru, Zhu Zonglong, Meng Xiangyue.  (2026)  Interfacial engineering via dipolar fullerene derivative for efficient tin halide perovskite indoor photovoltaics.  Nature Communications,      [PMID:41565676] [10.1038/s41467-026-68719-3]

3. Xue Jiang, Zhentao Du, Xiaoming Mo, Sheng Cao, Jinju Zheng, Bingsuo Zou, Jialong Zhao.  (2026)  Facile Synthesis of Large-Scale Two-Dimensional Perovskite Microplates for High-Performance UV Photodetectors.  ACS Applied Materials & Interfaces,      [PMID:41621075] [10.1021/acsami.5c22518]

4. Hui Yu, Youneng Tang, Chao Xie, Hao Zheng, Can Fu, Shunzi Li, Liangpan Yang, Wenhua Yang, Zhixiang Huang.  (2026)  Narrowband Blue Light Optoelectronic Synapses With aJ-Level Energy Consumption and Ultra-Narrow FWHM for High-Accuracy Fingerprint Identification.  Laser & Photonics Reviews,      [PMID:] [10.1002/lpor.71533]