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

CAS: 68297-62-1 Cat. No.: E636022 Formule: C₈H₁₀NCl Poids moléculaire: 155.62 Beilstein Registry Number: 4230571 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528753310
• Sourires canoniques: 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
• Isomères SMILES: C[C@@H](C1=CC(=CC=C1)Cl)N
• WGK Allemagne: 2
• CAS alternatif: 68297-62-1
• Poids moléculaire: 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
    • 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 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