2-(3-Chlorophenyl)ethylamine - ≥98%(GC)(T) , CAS No.13078-79-0

CAS: 13078-79-0 Cat. No.: C153963 Peso molecular: 155.63 Número EC: 628-159-7

GRADE & PURITY ≥98%(GC)(T)

Synonyms

3'-CHLOROPHENETHYLAMINE | 3-Chlorophenethylamine | 2-(3-Chlorophenyl)ethanamine | EN300-17861 | SCHEMBL148750 | J-005873 | BENZENEETHANAMINE, 3-CHLORO- | phenyl ethylamine | FT-0608547 | SY011429 | DTXSID70156740 | A2732 | 2-(3-chlorophenyl)ethan-1-amine

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

2-(3-Chlorophenyl)ethylamine (3-Chlorophenethylamine) was used in preparation of phenylacetaldehyde by a proton abstraction process.

Specifications

Sinónimos

3'-CHLOROPHENETHYLAMINE | 3-Chlorophenethylamine | 2-(3-Chlorophenyl)ethanamine | EN300-17861 | SCHEMBL148750 | J-005873 | BENZENEETHANAMINE, 3-CHLORO- | phenyl ethylamine | FT-0608547 | SY011429 | DTXSID70156740 | A2732 | 2-(3-chlorophenyl)ethan-1-amine

Especificaciones y pureza

≥98%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)(T)

Nombres e identificadores

• Pubchem Sid: 504757181
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757181
• Sonrisas canónicas: C1=CC(=CC(=C1)Cl)CCN
• IUPAC Name: 2-(3-chlorophenyl)ethanamine
• InChIKey: NRHVNPYOTNGECT-UHFFFAOYSA-N
• INCHI: 1S/C8H10ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
• Isómeros SMILES: C1=CC(=CC(=C1)Cl)CCN
• WGK Alemania: 3
• Peso molecular: 155.63
• Reaxy-Rn: 774601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774601&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: 2-arylethylamines Chlorobenzenes Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 2-arylethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Objetivos asociados (no humanos)

Taar1 Trace amine-associated receptor 1 (899 Activities)

Discover Target: Taar1

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Índice de refracción: 1.549
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): >109°C
• Punto de ebullición (°C): 111-113°C
• Peso molecular: 155.620 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 155.05 Da
• Monoisotopic Mass: 155.05 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

Referencias

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