Terbuthylazine - analytical standard , CAS No.5915-41-3

CAS: 5915-41-3 Cat. No.: T114842 Fórmula: C₉H₁₆ClN₅ Peso molecular: 229.71 Número CE: 227-637-9 PubChem CID: 22206

GRAU & PUREZA Analytical standard

Synonyms

2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin | 2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine | 4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine | N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine | 2-t-Butylamino-4-chloro-6-et

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin | 2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine | 4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine | N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine | 2-t-Butylamino-4-chloro-6-et

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Analytical standard

Nomes e identificadores

Pubchem Sid

528773191

Sorrisos canónicos

CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C

IUPAC Name

2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

InChIKey

FZXISNSWEXTPMF-UHFFFAOYSA-N

INCHI

1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)

SMILES isoméricas

CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C

PubChem CID

22206

Peso molecular

229.71

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotriazines
• Alternative Parents: Secondary alkylarylamines Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - 1,3,5-triazine - Heteroaromatic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.
• External Descriptors: Triazine herbicides

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

Alvos associados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°F): 212 °F
• Ponto de inflamação (°C): 100 °C
• Peso molecular: 229.710 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 229.109 Da
• Monoisotopic Mass: 229.109 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 193.000
• 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