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

CAS: 73918-56-6 Cat. No.: B101709 분자식: BrC₆H₄CH₂CH₂NH₂ 분자량: 200.08 Beilstein Registry Number: 12(4)2492 EC 번호: 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

동의어

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,

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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작업 유형

AGONIST

순수함

≥98%

이름과 식별자

• Pubchem Sid: 508809625
• 정식 스마일: 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
• 이성체 SMILES: C1=CC(=CC=C1CCN)Br
• WGK 독일: 3
• UN 번호: 2735
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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

Discover Target: HTR2A

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

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water.
• 감도: Air sensitive
• 굴절률: 1.574
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 63-72°C/0.2mmHg
• 분자량: 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

참고 문헌

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]