4-(3-Bromoimidazo[1,2-b]pyridazin-6-yl)morpholine - ≥96% , CAS No.1012343-72-4

CAS: 1012343-72-4 Cat. No.: B178738 Peso molecular: 283.1

GRADE & PURITY ≥96%

Synonyms

4-(3-Bromoimidazo[1,2-b]pyridazin-6-yl)morpholine | 1012343-72-4 | GS-4356 | C10H11BrN4O | AKOS015835775 | ZHDRUVUETRNEBZ-UHFFFAOYSA-N | 3-bromo-6-morpholin-4-yl-imidazo[1,2-b]pyridazine | MFCD11520886 | A897212 | Imidazo[1,2-b]pyridazine, 3-bromo-6-(4-mo

Shipped In

Normal

Specifications

Sinónimos

4-(3-Bromoimidazo[1, 2-b]pyridazin-6-yl)morpholine | 1012343-72-4 | GS-4356 | C10H11BrN4O | AKOS015835775 | ZHDRUVUETRNEBZ-UHFFFAOYSA-N | 3-bromo-6-morpholin-4-yl-imidazo[1, 2-b]pyridazine | MFCD11520886 | A897212 | Imidazo[1, 2-b]pyridazine, 3-bromo-6-(4-mo

Especificaciones y pureza

≥96%

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488201745
• Sonrisas canónicas: C1COCCN1C2=NN3C(=NC=C3Br)C=C2
• IUPAC Name: 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)morpholine
• InChIKey: ZHDRUVUETRNEBZ-UHFFFAOYSA-N
• INCHI: 1S/C10H11BrN4O/c11-8-7-12-9-1-2-10(13-15(8)9)14-3-5-16-6-4-14/h1-2,7H,3-6H2
• Isómeros SMILES: C1COCCN1C2=NN3C(=NC=C3Br)C=C2
• Peso molecular: 283.1
• Reaxy-Rn: 18374912
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18374912&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyridazines N-substituted imidazoles Morpholines Imidolactams Aryl bromides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dialkylarylamine - Aminopyridazine - Aryl bromide - Aryl halide - Imidolactam - Pyridazine - Oxazinane - Morpholine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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: 283.120 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 282.012 Da
• Monoisotopic Mass: 282.012 Da
• Topological Polar Surface Area: 42.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 249.000
• 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