2,4-Di-(N,N'-Diethylamino)-6-Chlorotriazine - ≥95% , CAS No.580-48-3

CAS: 580-48-3 Cat. No.: B300360 Peso molecular: 257.77

GRADE & PURITY ≥95%

Synonyms

Chlorazine [BSI] | DTXSID6041765 | G 25,804 | BRN 0020617 | 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N,N',N'-tetraethyl- | 2,4-Di-(N,N'-diethylamino)-6-chlorotriazine | E76994 | NSC 56840 | CHLORAZINE [HSDB] | WLN: T6N CN ENJ BN2&2 DN2&2 FG | 2,4-Bis(diethy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Chlorazine [BSI] | DTXSID6041765 | G 25, 804 | BRN 0020617 | 1, 3, 5-Triazine-2, 4-diamine, 6-chloro-N, N, N', N'-tetraethyl- | 2, 4-Di-(N, N'-diethylamino)-6-chlorotriazine | E76994 | NSC 56840 | CHLORAZINE [HSDB] | WLN: T6N CN ENJ BN2&2 DN2&2 FG | 2, 4-Bis(diethy

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)C1=NC(=NC(=N1)Cl)N(CC)CC
• IUPAC Name: 6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine
• InChIKey: QHXDTLYEHWXDSO-UHFFFAOYSA-N
• INCHI: 1S/C11H20ClN5/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8-4/h5-8H2,1-4H3
• Isómeros SMILES: CCN(CC)C1=NC(=NC(=N1)Cl)N(CC)CC
• Peso molecular: 257.77
• Reaxy-Rn: 20617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20617&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: Dialkylarylamines N-aliphatic s-triazines Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - Dialkylarylamine - Chloro-s-triazine - Halo-s-triazine - N-aliphatic s-triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine 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: 257.760 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 257.141 Da
• Monoisotopic Mass: 257.141 Da
• Topological Polar Surface Area: 45.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 188.000
• 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