Ctk4F0654 - ≥97% , CAS No.229978-45-4

CAS: 229978-45-4 Cat. No.: C1242805 PubChem CID: 10999897

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1C(NC2=NC(CN21)C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: (2R,6R)-2,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
• InChIKey: MTAUJUYSNPSXBW-HOTGVXAUSA-N
• INCHI: 1S/C17H17N3/c1-3-7-13(8-4-1)15-11-20-12-16(19-17(20)18-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)/t15-,16-/m0/s1
• Isomères SMILES: C1[C@H](NC2=N[C@@H](CN21)C3=CC=CC=C3)C4=CC=CC=C4
• CAS alternatif: 229978-45-4
• PubChem CID: 10999897

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Benzene and substituted derivatives Imidazolines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylimidazolidine - Benzenoid - Monocyclic benzene moiety - 2-imidazoline - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by 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

Propriétés chimiques et physiques

• Poids moléculaire: 263.340 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 263.142 Da
• Monoisotopic Mass: 263.142 Da
• Topological Polar Surface Area: 27.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 366.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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