4，6-Dichloro-N-cyclopropyl-1，3，5-triazin-2-amine - ≥95% , CAS No.32889-45-5

CAS: 32889-45-5 Cat. No.: D692200 Molecular Weight: 205.04 PubChem CID: 22254066

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Product Properties

• ALogP: 2.4

Names and Identifiers

• Canonical Smiles: C1CC1NC2=NC(=NC(=N2)Cl)Cl
• IUPAC Name: 4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
• InChIKey: BFZPFVIKDQXXKY-UHFFFAOYSA-N
• INCHI: 1S/C6H6Cl2N4/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H,9,10,11,12)
• Isomeric SMILES: C1CC1NC2=NC(=NC(=N2)Cl)Cl
• PubChem CID: 22254066
• Molecular Weight: 205.04

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-aliphatic s-triazines
• Alternative Parents: Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chloro-s-triazine - Halo-s-triazine - N-aliphatic s-triazine - 1,3,5-triazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-aliphatic s-triazines. These are n-aliphatic amine derivatives of 1,3,5-triazines. 1,3,5-triazines are aromatic compounds having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
• 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

• Molecular Weight: 205.040 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.997 Da
• Monoisotopic Mass: 203.997 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 154.000
• 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