P,P′-(9,9-Dimetil-9H-xanteno-4,5-diil)bis[N,N,N′,N′-tetraetil-fosfonodiamida] - ≥97% , CAS No.349100-75-0

CAS: 349100-75-0 Cat. No.: P138706 Peso molecular: 558.72 PubChem CID: 12998167

GRADE & PURITY ≥97%

Synonyms

J-019799 | P,P'-(9,9-DIMETHYL-9H-XANTHENE-4,5-DIYL)BIS[N,N,N',N'-TETRAETHYL-PHOSPHONOUSDIAMIDE] | Xantphos based ligand | N-[[5-[bis(diethylamino)phosphanyl]-9,9-dimethylxanthen-4-yl]-(diethylamino)phosphanyl]-N-ethylethanamine | ({5-[BIS(DIETHYLAMINO)PHO

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

J-019799 | P, P'-(9, 9-DIMETHYL-9H-XANTHENE-4, 5-DIYL)BIS[N, N, N', N'-TETRAETHYL-PHOSPHONOUSDIAMIDE] | Xantphos based ligand | N-[[5-[bis(diethylamino)phosphanyl]-9, 9-dimethylxanthen-4-yl]-(diethylamino)phosphanyl]-N-ethylethanamine | ({5-[BIS(DIETHYLAMINO)PHO

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)P(C1=CC=CC2=C1OC3=C(C2(C)C)C=CC=C3P(N(CC)CC)N(CC)CC)N(CC)CC
• IUPAC Name: N-[[5-[bis(diethylamino)phosphanyl]-9,9-dimethylxanthen-4-yl]-(diethylamino)phosphanyl]-N-ethylethanamine
• InChIKey: APRIDPKHBSWSHQ-UHFFFAOYSA-N
• INCHI: 1S/C31H52N4OP2/c1-11-32(12-2)37(33(13-3)14-4)27-23-19-21-25-29(27)36-30-26(31(25,9)10)22-20-24-28(30)38(34(15-5)16-6)35(17-7)18-8/h19-24H,11-18H2,1-10H3
• Isómeros SMILES: CCN(CC)P(C1=CC=CC2=C1OC3=C(C2(C)C)C=CC=C3P(N(CC)CC)N(CC)CC)N(CC)CC
• WGK Alemania: 3
• PubChem CID: 12998167
• Peso molecular: 558.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Benzenoids Oxacyclic compounds Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzenoid - Oxacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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: 558.700 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 558.362 Da
• Monoisotopic Mass: 558.362 Da
• Topological Polar Surface Area: 22.200 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 603.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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