(R)-3-Bromo-α-methylbenzylamine - ≥99%,≥98%(ee) , CAS No.176707-77-0

CAS: 176707-77-0 Cat. No.: I132915 Peso molecular: 200.08 Número EC: 663-011-5

GRADE & PURITY ≥99%,≥98%(ee)

Synonyms

(R)-1-(3-bromophenyl)ethanamine | (1R)-1-(3-bromophenyl)ethylamine | MFCD00671637 | AC-2288 | (R)-3-Bromo-alpha-methylbenzylamine, ChiPros(R), produced by BASF | (R)-1-(3-Bromophenyl)ethylamine | (R)-1-(3-Bromo-phenyl)-ethylamine | (R)-1-(3-Bromophenyl)et

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(R)-1-(3-bromophenyl)ethanamine | (1R)-1-(3-bromophenyl)ethylamine | MFCD00671637 | AC-2288 | (R)-3-Bromo-alpha-methylbenzylamine, ChiPros(R), produced by BASF | (R)-1-(3-Bromophenyl)ethylamine | (R)-1-(3-Bromo-phenyl)-ethylamine | (R)-1-(3-Bromophenyl)et

Especificaciones y pureza

≥99%, ≥98%(ee)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%, ≥98%(ee)

Nombres e identificadores

• Pubchem Sid: 504769299
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769299
• Sonrisas canónicas: CC(C1=CC(=CC=C1)Br)N
• IUPAC Name: (1R)-1-(3-bromophenyl)ethanamine
• InChIKey: LIBZHYLTOAGURM-ZCFIWIBFSA-N
• INCHI: 1S/C8H10BrN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m1/s1
• Isómeros SMILES: C[C@H](C1=CC(=CC=C1)Br)N
• WGK Alemania: 3
• Peso molecular: 200.08
• Reaxy-Rn: 2354572
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2354572&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 96℃/4mm
• Peso molecular: 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: 105.000
• 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