(R)-8-(Diphenylphosphino)-1,2,3,4-tetrahydronaphthalen-1-amine - ≥97% , CAS No.960128-64-7

CAS: 960128-64-7 Cat. No.: R115643 Peso molecular: 331.39 Número EC: 687-063-3 PubChem CID: 71309688

GRADE & PURITY ≥97%

Synonyms

A858725 | MFCD16621442 | AKOS016012293 | SCHEMBL16293503 | (R)-8-(Diphenylphosphino)-1,2,3,4-tetrahydronaphthalen-1-amine | DTXSID20745966 | (R)-1-Amino-8-(diphenylphosphino)-1,2,3,4-tetrahydronaphthalene | (R)-8-(diphenylphosphanyl)-1,2,3,4-tetrahydronap

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

A858725 | MFCD16621442 | AKOS016012293 | SCHEMBL16293503 | (R)-8-(Diphenylphosphino)-1, 2, 3, 4-tetrahydronaphthalen-1-amine | DTXSID20745966 | (R)-1-Amino-8-(diphenylphosphino)-1, 2, 3, 4-tetrahydronaphthalene | (R)-8-(diphenylphosphanyl)-1, 2, 3, 4-tetrahydronap

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC(C2=C(C1)C=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)N
• IUPAC Name: (1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine
• InChIKey: KTWOFTBMHDQUEE-HXUWFJFHSA-N
• INCHI: 1S/C22H22NP/c23-20-15-7-9-17-10-8-16-21(22(17)20)24(18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-6,8,10-14,16,20H,7,9,15,23H2/t20-/m1/s1
• Isómeros SMILES: C1C[C@H](C2=C(C1)C=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)N
• WGK Alemania: 3
• PubChem CID: 71309688
• Peso molecular: 331.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Tetralins Aralkylamines Organic phosphines and derivatives Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylphosphine - Tetralin - Aralkylamine - Phenylphosphine - Phosphine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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

• Punto de fusión (°C): 120-127°C
• Peso molecular: 331.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 331.149 Da
• Monoisotopic Mass: 331.149 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 367.000
• 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