(S)-1-(3,4-Dichlorophenyl)ethanamine - ≥98% , CAS No.150025-93-7

CAS: 150025-93-7 Cat. No.: S191063 Fórmula: C₈H₉Cl₂N Peso molecular: 190.07

GRADE & PURITY ≥98%

Synonyms

1(S)-(3,4-dichlorophenyl)ethylamine | Benzenemethanamine, 3,4-dichloro-a-methyl-, (S)- | MFCD07772667 | AKOS010366658 | (1S)-1-(3,4-dichlorophenyl)ethanamine | BDBM50217344 | Benzenemethanamine,3,4-dichloro-a-methyl-,(aS)- | N10849 | (S)-1-(3,4-Dichloroph

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1(S)-(3,4-dichlorophenyl)ethylamine | Benzenemethanamine, 3,4-dichloro-a-methyl-, (S)- | MFCD07772667 | AKOS010366658 | (1S)-1-(3,4-dichlorophenyl)ethanamine | BDBM50217344 | Benzenemethanamine,3,4-dichloro-a-methyl-,(aS)- | N10849 | (S)-1-(3,4-Dichloroph

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528753309
• Sonrisas canónicas: CC(C1=CC(=C(C=C1)Cl)Cl)N
• IUPAC Name: (1S)-1-(3,4-dichlorophenyl)ethanamine
• InChIKey: UJUFOUVXOUYYRG-YFKPBYRVSA-N
• INCHI: 1S/C8H9Cl2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m0/s1
• Isómeros SMILES: C[C@@H](C1=CC(=C(C=C1)Cl)Cl)N
• Peso molecular: 190.07
• Reaxy-Rn: 2413761
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2413761&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aralkylamine - 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
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Objetivos asociados (humanos)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 190.070 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.011 Da
• Monoisotopic Mass: 189.011 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• 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