Dicyclanil - analytical standard , CAS No.112636-83-6

CAS: 112636-83-6 Cat. No.: D124700 Formule: C₈H₁₀N₆ Poids moléculaire: 190.21 Beilstein Registry Number: 9265760 Numéro CE: 601-192-4

GRADE & PURITY Analytical standard

Synonyms

A802619 | CLIK | Dicyclanil | J-514108 | 4,6-diamino-2-cyclopropylaminopyrimidine-5-carbonitrile | DBC8O809S5 | AKOS006283479 | Dicyclanil, PESTANAL(R), analytical standard | BCP08674 | Dicyclanil [ISO] | 2-(Cyclopropylamino)-4,6-diamino-5-cyanopyrimidine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

A802619 | CLIK | Dicyclanil | J-514108 | 4,6-diamino-2-cyclopropylaminopyrimidine-5-carbonitrile | DBC8O809S5 | AKOS006283479 | Dicyclanil, PESTANAL(R), analytical standard | BCP08674 | Dicyclanil [ISO] | 2-(Cyclopropylamino)-4,6-diamino-5-cyanopyrimidine

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

• Pubchem Sid: 528771154
• Sourires canoniques: C1CC1NC2=NC(=C(C(=N2)N)C#N)N
• IUPAC Name: 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
• InChIKey: PKTIFYGCWCQRSX-UHFFFAOYSA-N
• INCHI: 1S/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14)
• Isomères SMILES: C1CC1NC2=NC(=C(C(=N2)N)C#N)N
• WGK Allemagne: 2
• Poids moléculaire: 190.21
• Beilstein: 9265760
• Reaxy-Rn: 9265760
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9265760&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrimidines and derivatives
• Alternative Parents: Secondary alkylarylamines Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Secondary aliphatic/aromatic amine - Aminopyrimidine - Imidolactam - Heteroaromatic compound - Azacycle - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring 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

Propriétés chimiques et physiques

• Poids moléculaire: 190.210 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 190.097 Da
• Monoisotopic Mass: 190.097 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 242.000
• 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