N-(CYCLOHEXYLIDENEAMINO)CYCLOHEXANIMINE - ≥95% , CAS No.4278-87-9

CAS: 4278-87-9 Cat. No.: N769726 Molecular Weight: 192.3006

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CCC(=NN=C2CCCCC2)CC1
• InChIKey: GYQYUOSKLVIRAB-UHFFFAOYSA-N
• INCHI: 1S/C12H20N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H2
• Isomeric SMILES: C1CCC(=NN=C2CCCCC2)CC1
• Molecular Weight: 192.3006

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Hydrazines and derivatives
        • Level5 Azines
          • Level6 Ketazines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Azines
• Direct Parent: Ketazines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ketazine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ketazines. These are azines of ketones containing a moiety with the formula R2C=NN=CR2.
• 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

• Boil Point(°C): 165°C at 25 mmHg
• Melt Point(°C): 35 °C
• Molecular Weight: 192.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.163 Da
• Monoisotopic Mass: 192.163 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 199.000
• 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