1-[(diphenylmethylidene)amino]cyclopropane-1-carbonitrile - ≥97% , CAS No.89985-88-6

CAS: 89985-88-6 Cat. No.: D178100 Peso molecular: 246.313

GRADE & PURITY ≥97%

Synonyms

Cyclopropanecarbonitrile, 1-[(diphenylmethylene)amino]- | SCHEMBL1199802 | AS-52951 | 1-((Diphenylmethylene)amino)cyclopropanecarbonitrile | 1-[(Diphenylmethylidene)amino]cyclopropane-1-carbonitrile | P15904 | FT-0751877 | 1-(diphenylmethylene)amino-1-cyc

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Cyclopropanecarbonitrile, 1-[(diphenylmethylene)amino]- | SCHEMBL1199802 | AS-52951 | 1-((Diphenylmethylene)amino)cyclopropanecarbonitrile | 1-[(Diphenylmethylidene)amino]cyclopropane-1-carbonitrile | P15904 | FT-0751877 | 1-(diphenylmethylene)amino-1-cyc

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC1(C#N)N=C(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile
• InChIKey: HRIPVXSRVSVPPR-UHFFFAOYSA-N
• INCHI: 1S/C17H14N2/c18-13-17(11-12-17)19-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
• Isómeros SMILES: C1CC1(C#N)N=C(C2=CC=CC=C2)C3=CC=CC=C3
• Peso molecular: 246.313
• Reaxy-Rn: 4188166
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4188166&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Secondary ketimines Azomethines Propargyl-type 1,3-dipolar organic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Secondary ketimine - Azomethine - Ketimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: 246.310 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.116 Da
• Monoisotopic Mass: 246.116 Da
• Topological Polar Surface Area: 36.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 365.000
• 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