2-Bromophenethylamine - ≥98%(T) , CAS No.65185-58-2

CAS: 65185-58-2 Cat. No.: B122727 Formula: C₈H₁₀BrN Peso molecolare: 200.08 Numero EC: 628-929-2

GRADE & PURITY ≥98%(T)

Synonyms

2-bromophenylethylamine | 2-Bromophenethylamine | 2-bromo-phenethylamine | 2-bromophen-ethylamine | 1-Amino-(2-bromophenyl)ethane | 2-Bromophenethylamine, 97% | Benzeneethanamine, 2-bromo- | DTXSID80370117 | SCHEMBL265615 | AKOS000189274 | FT-0646437 | 2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-bromophenylethylamine | 2-Bromophenethylamine | 2-bromo-phenethylamine | 2-bromophen-ethylamine | 1-Amino-(2-bromophenyl)ethane | 2-Bromophenethylamine, 97% | Benzeneethanamine, 2-bromo- | DTXSID80370117 | SCHEMBL265615 | AKOS000189274 | FT-0646437 | 2-

Specifiche e purezza

≥98%(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(T)

Nomi e identificatori

• Pubchem Sid: 504761065
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761065
• Sorrisi canonici: C1=CC=C(C(=C1)CCN)Br
• IUPAC Name: 2-(2-bromophenyl)ethanamine
• InChIKey: ITRNQMJXZUWZQL-UHFFFAOYSA-N
• INCHI: 1S/C8H10BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
• Isomeri SMILES: C1=CC=C(C(=C1)CCN)Br
• WGK Germania: 3
• Peso molecolare: 200.08
• Reaxy-Rn: 2802715
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802715&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

TAAR1 Tclin Trace amine-associated receptor 1 (1 Activities)

Discover Target: TAAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light Sensitive,Air Sensitive
• Indice di rifrazione: 1.577
• Punto di infiammabilità (°C): 110 °C
• Punto di ebollizione (°C): 253°C
• Peso molecolare: 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: 95.300
• 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

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 65185-58-2, the molecular formula is C8H10BrN, and the molecular weight is 200.08 g/mol. InChIKey ITRNQMJXZUWZQL-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.