(S)-(-)-1-(4-Bromophenyl)ethylamine - ≥98%,≥98%(ee) , CAS No.27298-97-1

CAS: 27298-97-1 Cat. No.: B113790 Formula: C₈H₁₀BrN Peso molecolare: 200.08 Beilstein Registry Number: 5729988 Numero EC: 608-076-2

GRADE & PURITY ≥98%,≥98%(ee)

Synonyms

AKOS015835635 | (S)-(-)-4-Bromo- | (S)-(-)-4-Bromo-alpha-phenylethylamine | (S)-(-)-1-(4-Bromophenyl)ethylamine | (S)-(-)-1-(4-bromo-phenyl)-ethylamine | AS-18254 | (1S)-(-)-1-(4-Bromophenyl)ethylamine | (S)-(-)-4-Bromo-alpha-methylbenzylamine | A inverte

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

Application

(S)-(-)-1-(4-Bromophenyl)ethylamine may be used in the synthesis of (S)-1-(1-(4-bromophenyl) ethyl)-2-cyano-3-(quinoline-5-yl) guanidine, which is an intermediate to prepare a potent and selective antagonist and radioligand for rat P2X7 receptors.

Specifications

Sinonimi

AKOS015835635 | (S)-(-)-4-Bromo- | (S)-(-)-4-Bromo-alpha-phenylethylamine | (S)-(-)-1-(4-Bromophenyl)ethylamine | (S)-(-)-1-(4-bromo-phenyl)-ethylamine | AS-18254 | (1S)-(-)-1-(4-Bromophenyl)ethylamine | (S)-(-)-4-Bromo-alpha-methylbenzylamine | A inverte

Specifiche e purezza

≥98%,≥98%(ee)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%,≥98%(ee)

Nomi e identificatori

Pubchem Sid

488191620

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191620

Sorrisi canonici

CC(C1=CC=C(C=C1)Br)N

IUPAC Name

(1S)-1-(4-bromophenyl)ethanamine

InChIKey

SOZMSEPDYJGBEK-LURJTMIESA-N

INCHI

1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1

Isomeri SMILES

C[C@@H](C1=CC=C(C=C1)Br)N

WGK Germania

3

Numero UN

2735

Peso molecolare

200.08

Beilstein

5729988

Reaxy-Rn

2412318

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412318&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aralkylamines Aryl bromides Organopnictogen compounds Organobromides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive.
• Indice di rifrazione: 1.567
• Rotazione specifica [α]: -18° (C=3,MeOH)
• Punto di infiammabilità (°F): 230°F
• Punto di infiammabilità (°C): >110 ºC
• Punto di ebollizione (°C): 140-145°/30mm
• Punto di fusione (°C): -25° (neat)
• Peso molecolare: 200.080 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199 Da
• Monoisotopic Mass: 199 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 97.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 27298-97-1, the molecular formula is C8H10BrN, and the molecular weight is 200.08 g/mol. InChIKey SOZMSEPDYJGBEK-LURJTMIESA-N.

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.