(S)-1-(3-Chlorophenyl)ethylamine - ≥97% , CAS No.68297-62-1

CAS: 68297-62-1 Cat. No.: E636022 Summenformel: C₈H₁₀NCl Molekulargewicht: 155.62 Beilstein Registry Number: 4230571 EG-Nummer: 662-811-1

GRADE & PURITY ≥97%

Synonyms

AC-2283 | (1S)-1-(3-chlorophenyl)ethan-1-amine | (1S)-1-(3-chlorophenyl)ethanamine | SCHEMBL2032469 | (S)-1-(3-Chlorophenyl)ethylamine | DQEYVZASLGNODG-LURJTMIESA-N | A836089 | (S)-1-(3-chlorophenyl)ethanamine | (S)-3-Chloro-alpha-methylbenzylamine, ChiPr

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

AC-2283 | (1S)-1-(3-chlorophenyl)ethan-1-amine | (1S)-1-(3-chlorophenyl)ethanamine | SCHEMBL2032469 | (S)-1-(3-Chlorophenyl)ethylamine | DQEYVZASLGNODG-LURJTMIESA-N | A836089 | (S)-1-(3-chlorophenyl)ethanamine | (S)-3-Chloro-alpha-methylbenzylamine, ChiPr

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528753310
• Kanonisches Lächeln: CC(C1=CC(=CC=C1)Cl)N
• IUPAC Name: (1S)-1-(3-chlorophenyl)ethanamine
• InChIKey: DQEYVZASLGNODG-LURJTMIESA-N
• INCHI: 1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
• Isomere SMILES: C[C@@H](C1=CC(=CC=C1)Cl)N
• WGK Deutschland: 2
• Alternative CAS-Nummer: 68297-62-1
• Molekulargewicht: 155.62
• Beilstein: 4230571
• Reaxy-Rn: 2412315
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412315&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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 155.620 g/mol
• XLogP3: 2.200
• 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: 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