(R)-(+)-1-Phenylethylamine - for the resolution of racemates for synthesis , CAS No.3886-69-9

CAS: 3886-69-9 Cat. No.: R432682 Peso molecular: 121.18 Beilstein Registry Number: 2410916 Número EC: 223-423-4 PubChem CID: 643189

GRADE & PURITY for the resolution of racemates for synthesis

Synonyms

(r)-(+)-1-phenethylamine | A6546 | (R)-(-)-1-phenylethylamine | (R)-(+)-alpha-Methylbenzylamine, for chiral derivatization, >=99.0% | (R)-(1-phenylethyl)amine | (R)-alpha-methylbenzylarnine | QSC | UNII-V022ZK8GZ5 | (R)-(-)-alpha-methylbenzylamine | (R)-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(r)-(+)-1-phenethylamine | A6546 | (R)-(-)-1-phenylethylamine | (R)-(+)-alpha-Methylbenzylamine, for chiral derivatization, >=99.0% | (R)-(1-phenylethyl)amine | (R)-alpha-methylbenzylarnine | QSC | UNII-V022ZK8GZ5 | (R)-(-)-alpha-methylbenzylamine | (R)-1

Especificaciones y pureza

for the resolution of racemates for synthesis

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Nombres e identificadores

• Pubchem Sid: 504759730
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759730
• Sonrisas canónicas: C[C@@H](N)c1ccccc1
• IUPAC Name: (1R)-1-phenylethanamine
• InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N
• INCHI: 1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
• Isómeros SMILES: C[C@H](C1=CC=CC=C1)N
• WGK Alemania: 3
• PubChem CID: 643189
• Peso molecular: 121.18
• Beilstein: 2410916

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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: 1-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

Objetivos asociados (humanos)

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

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

Objetivos asociados (no humanos)

Grin1 Glutamate NMDA receptor (6467 Activities)

Discover Target: Grin1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 40g/L
• Sensibilidad: Moisture sensitive;Air sensitive
• Índice de refracción: 1.53
• Rotación específica [α]: 39° (neat)
• Punto de inflamación (°C): 70°C
• Punto de ebullición (°C): 187-189 °C
• Punto de fusión (°C): -10 °C
• Peso molecular: 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: 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

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