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

CAS: 150025-93-7 Cat. No.: S191063 Summenformel: C₈H₉Cl₂N Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

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

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528753309
• Kanonisches Lächeln: 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
• Isomere SMILES: C[C@@H](C1=CC(=C(C=C1)Cl)Cl)N
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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