4-Bromophenethylamine - ≥98% , CAS No.73918-56-6

CAS: 73918-56-6 Cat. No.: B101709 Summenformel: BrC₆H₄CH₂CH₂NH₂ Molekulargewicht: 200.08 Beilstein Registry Number: 12(4)2492 EG-Nummer: 277-636-2

GRADE & PURITY ≥98%

Synonyms

A9511 | p-Bromophenylethylamine | J-501369 | 4-Bromophenethylamine | 4-Bromo-phenethylamine | 2-(4-bromophenyl)ethyl amine | AC-185 | 4-Bromophenethylamine, 98% | J-650289 | 2-(4-bromophenyl)ethanamine;4-Bromophenethylamine | AS-13458 | Benzeneethanamine,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

A9511 | p-Bromophenylethylamine | J-501369 | 4-Bromophenethylamine | 4-Bromo-phenethylamine | 2-(4-bromophenyl)ethyl amine | AC-185 | 4-Bromophenethylamine, 98% | J-650289 | 2-(4-bromophenyl)ethanamine;4-Bromophenethylamine | AS-13458 | Benzeneethanamine,

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

AGONIST

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508809625
• Kanonisches Lächeln: C1=CC(=CC=C1CCN)Br
• IUPAC Name: 2-(4-bromophenyl)ethanamine
• InChIKey: ZSZCXAOQVBEPME-UHFFFAOYSA-N
• INCHI: 1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
• Isomere SMILES: C1=CC(=CC=C1CCN)Br
• WGK Deutschland: 3
• UN-Nummer: 2735
• Molekulargewicht: 200.08
• Beilstein: 12(4)2492
• Reaxy-Rn: 2802431
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802431&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: 2-arylethylamines Bromobenzenes Aralkylamines Aryl bromides Organopnictogen compounds Organobromides Monoalkylamines 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 - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

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Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water.
• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.574
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 63-72°C/0.2mmHg
• Molekulargewicht: 200.080 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199 Da
• Monoisotopic Mass: 199 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• 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: 1

Referenzen

1. Nan Jiang, Xiaotong Du, Liangyu Zheng.  (2023)  Highly efficient synthesis of chiral lactams by using a ω-transaminase from Bacillus megaterium and its mutant enzymes.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2023.113364]