(S)-2-(Diphenylphosphino)-1-phenylethanamine - ≥98% , CAS No.1103533-85-2

CAS: 1103533-85-2 Cat. No.: P769069 Peso molecular: 305.4 PubChem CID: 70861903

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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

• Sonrisas canónicas: C1=CC=C(C=C1)C(CP(C2=CC=CC=C2)C3=CC=CC=C3)N
• IUPAC Name: (1S)-2-diphenylphosphanyl-1-phenylethanamine
• InChIKey: OTNYDYNCOCRMDG-HXUWFJFHSA-N
• INCHI: 1S/C20H20NP/c21-20(17-10-4-1-5-11-17)16-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,21H2/t20-/m1/s1
• Isómeros SMILES: C1=CC=C(C=C1)[C@@H](CP(C2=CC=CC=C2)C3=CC=CC=C3)N
• PubChem CID: 70861903
• Peso molecular: 305.4

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 Organic phosphines and derivatives Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - Phosphine - Hydrocarbon derivative - Primary amine - Organophosphorus compound - 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: 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

Propiedades químicas y físicas

• Peso molecular: 305.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 305.133 Da
• Monoisotopic Mass: 305.133 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 283.000
• 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