(S)-1-(4-clorofenil)etilammina - ≥97%,≥98%(ee) , CAS No.4187-56-8

CAS: 4187-56-8 Cat. No.: C111118 Formula: C₈H₁₀ClN Peso molecolare: 155.62 Beilstein Registry Number: 2412316 Numero EC: 609-965-8

GRADE & PURITY ≥97%,≥98%(ee)

Synonyms

(1S)-1-(4-chlorophenyl)ethan-1-amine | (1~{R})-1-(4-chlorophenyl)ethanamine | (S)-1-(4-chloro-phenyl)-ethyl amine | (1S)-1-(4-chlorophenyl)ethanamine | (S)-4-Chlorophenylethylamine | CHEBI:194663 | (-)-alpha-(p-Chlorophenyl)ethylamine | (s)-(-)-1-(4-chlor

Storage

Argon charged,Room temperature

Shipped In

Normale

Specifications

Sinonimi

(1S)-1-(4-chlorophenyl)ethan-1-amine | (1~{R})-1-(4-chlorophenyl)ethanamine | (S)-1-(4-chloro-phenyl)-ethyl amine | (1S)-1-(4-chlorophenyl)ethanamine | (S)-4-Chlorophenylethylamine | CHEBI:194663 | (-)-alpha-(p-Chlorophenyl)ethylamine | (s)-(-)-1-(4-chlor

Specifiche e purezza

≥97%,≥98%(ee)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥97%,≥98%(ee)

Nomi e identificatori

Pubchem Sid

508806751

Sorrisi canonici

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

IUPAC Name

(1S)-1-(4-chlorophenyl)ethanamine

InChIKey

PINPOEWMCLFRRB-LURJTMIESA-N

INCHI

1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1

Isomeri SMILES

C[C@@H](C1=CC=C(C=C1)Cl)N

WGK Germania

2

Numero UN

2811

Peso molecolare

155.62

Beilstein

2412316

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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water at 25°C 11 g/L.
• Sensibilità: Sensitive to air
• Indice di rifrazione: 1.543
• Punto di infiammabilità (°F): 239 °F
• Punto di infiammabilità (°C): 115 °C
• Punto di ebollizione (°C): 232°C
• Peso molecolare: 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: 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