4,5-Didehydro brimonidine - ≥95% , CAS No.151110-15-5

CAS: 151110-15-5 Cat. No.: D1281023 Summenformel: C₁₁H₈BrN₅ Molekulargewicht: 290.12 EG-Nummer: 837-242-9 PubChem CID: 10214826

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=CC2=NC=CN=C2C(=C1NC3=NC=CN3)Br

IUPAC Name

5-bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine

InChIKey

FJXZFBTUCZEINA-UHFFFAOYSA-N

INCHI

1S/C11H8BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-6H,(H2,15,16,17)

Isomere SMILES

C1=CC2=NC=CN=C2C(=C1NC3=NC=CN3)Br

PubChem CID

10214826

Molekulargewicht

290.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazines Benzenoids Aryl bromides Aminoimidazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Aminoimidazole - Aryl bromide - Aryl halide - Pyrazine - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Secondary amine - Azacycle - Organic nitrogen compound - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 290.120 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 288.996 Da
• Monoisotopic Mass: 288.996 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 264.000
• 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