(S)-(-)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethyl]-1-phthalazinamine - ≥97% , CAS No.828927-96-4

CAS: 828927-96-4 Cat. No.: S282048 Molecular Weight: 559.64 PubChem CID: 11192224

GRADE & PURITY ≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504766142
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766142
• Canonical Smiles: CC(C1=CC=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=C(C=CC5=CC=CC=C54)P(C6=CC=CC=C6)C7=CC=CC=C7
• IUPAC Name: 4-(2-diphenylphosphanylnaphthalen-1-yl)-N-[(1R)-1-phenylethyl]phthalazin-1-amine
• InChIKey: HCEVCINOBTVHOF-HHHXNRCGSA-N
• INCHI: 1S/C38H30N3P/c1-27(28-15-5-2-6-16-28)39-38-34-24-14-13-23-33(34)37(40-41-38)36-32-22-12-11-17-29(32)25-26-35(36)42(30-18-7-3-8-19-30)31-20-9-4-10-21-31/h2-27H,1H3,(H,39,41)/t27-/m1/s1
• Isomeric SMILES: C[C@H](C1=CC=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=C(C=CC5=CC=CC=C54)P(C6=CC=CC=C6)C7=CC=CC=C7
• PubChem CID: 11192224
• Molecular Weight: 559.64

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Phthalazines Naphthalenes Aminopyridazines Imidolactams Heteroaromatic compounds Organic phosphines and derivatives Azacyclic compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylphosphine - Naphthalene - Phthalazine - Aminopyridazine - Phenylphosphine - Imidolactam - Pyridazine - Heteroaromatic compound - Phosphine - Azacycle - Organoheterocyclic compound - Organophosphorus compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): >210°C
• Molecular Weight: 559.600 g/mol
• XLogP3: 8.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 559.218 Da
• Monoisotopic Mass: 559.218 Da
• Topological Polar Surface Area: 37.800 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 799.000
• 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