1-(4-Chlorophenyl)ethylamine - ≥97% , CAS No.6299-02-1

CAS: 6299-02-1 Cat. No.: C185668 Fórmula: C₈H₁₀ClN Peso molecular: 155.6 Número CE: 228-576-0

GRAU & PUREZA ≥97%

Synonyms

1-(4-chlorophenyl)ethan-1-amine | 1-(4-chlorophenyl)-1-ethanamine | EN300-10020 | SB76548 | SCHEMBL177057 | BB 0254687 | MLN-4924003 | A834135 | NSC 42452 | SY139112 | FT-0636081 | SB76104 | (+/-) 1-(4-chlorophenyl)ethylamine | 5-AMINO-BENZOFURAN-2-CARBOX

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

1-(4-Chlorophenyl)ethylamine is a chiral amine that may be used in the preparation of N-phenylacetyl-(R)-1-(4-chlorophenyl)ethylamine via enantioselective acylation in aqueous medium and in the presence of penicillin acylase from Alcaligenes faecalis.

Especificações

Sinónimos

1-(4-chlorophenyl)ethan-1-amine | 1-(4-chlorophenyl)-1-ethanamine | EN300-10020 | SB76548 | SCHEMBL177057 | BB 0254687 | MLN-4924003 | A834135 | NSC 42452 | SY139112 | FT-0636081 | SB76104 | (+/-) 1-(4-chlorophenyl)ethylamine | 5-AMINO-BENZOFURAN-2-CARBOX

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488187081

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187081

Sorrisos canónicos

CC(C1=CC=C(C=C1)Cl)N

IUPAC Name

1-(4-chlorophenyl)ethanamine

InChIKey

PINPOEWMCLFRRB-UHFFFAOYSA-N

INCHI

1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3

SMILES isoméricas

CC(C1=CC=C(C=C1)Cl)N

Número UN

2735

Grupo de embalagem

II

Peso molecular

155.6

Reaxy-Rn

636601

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636601&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: Chlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.543
• Peso molecular: 155.620 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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: 97.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 6299-02-1, the molecular formula is C8H10ClN, and the molecular weight is 155.6 g/mol. InChIKey PINPOEWMCLFRRB-UHFFFAOYSA-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.