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

CAS: 6299-02-1 Cat. No.: C185668 Summenformel: C₈H₁₀ClN Molekulargewicht: 155.6 EG-Nummer: 228-576-0

GRADE & PURITY ≥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

Übersicht

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.

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488187081

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

UN-Nummer

2735

Verpackungsgruppe

II

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.543
• Molekulargewicht: 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

Häufig gestellte Fragen

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.