α-metilbenzilammina - Moligand™, ≥98%(GC) , CAS No.618-36-0

CAS: 618-36-0 Cat. No.: S135224 Formula: C₈H₁₁N Peso molecolare: 121.18 Beilstein Registry Number: 121094 Numero EC: 210-545-8

GRADE & PURITY Moligand™, ≥98%(GC)

Synonyms

DL-1-phenethylamine | (-) alpha-methyl-benzylamine | (R)-.alpha.-Methylbenzenemethanamine | .ALPHA.-METHYLBENZENEMETHANAMINE | Ethanamine, 1-phenyl- | HZ9DM6B2MT | l-phenylethylamine | 1-Phenyl-1-ethanamine | EINECS 202-706-6 | 1-Fenylethylamin | (S)-(-)-

Storage

Argon charged,Room temperature

Shipped In

Normale

Panoramica

l'α-metilbenzilammina è una fonte di azoto ampiamente utilizzata come substrato rappresentativo per studiare la risoluzione cinetica chemio-enzimatica delle ammine primarie.

l'α-metilbenzilammina è ampiamente utilizzata come substrato rappresentativo per studiare la risoluzione cinetica dinamica chemioenzimatica delle ammine primarie. È anche utilizzata nella sintesi di o-fluorobenzilammine.

Specifications

Sinonimi

DL-1-phenethylamine | (-) alpha-methyl-benzylamine | (R)-.alpha.-Methylbenzenemethanamine | .ALPHA.-METHYLBENZENEMETHANAMINE | Ethanamine, 1-phenyl- | HZ9DM6B2MT | l-phenylethylamine | 1-Phenyl-1-ethanamine | EINECS 202-706-6 | 1-Fenylethylamin | (S)-(-)-

Specifiche e purezza

Moligand™, ≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Grado

Moligand™

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 508811298
• Sorrisi canonici: CC(C1=CC=CC=C1)N
• IUPAC Name: 1-phenylethanamine
• InChIKey: RQEUFEKYXDPUSK-UHFFFAOYSA-N
• INCHI: 1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
• Isomeri SMILES: CC(C1=CC=CC=C1)N
• WGK Germania: 1
• Peso molecolare: 121.18
• Beilstein: 121094
• Reaxy-Rn: 636127
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636127&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: phenylethylamine

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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water at 20°C 4.2 g/L.
• Sensibilità: air sensitive,Hygroscopic
• Indice di rifrazione: 1.5240 to 1.5290
• Punto di infiammabilità (°F): 158 °F
• Punto di infiammabilità (°C): 69°C
• Punto di ebollizione (°C): 185°C
• Punto di fusione (°C): -65 °C
• Peso molecolare: 121.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

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