8-Bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole - ≥98% , CAS No.497261-38-8

CAS: 497261-38-8 Cat. No.: B344503 Peso molecular: 251.12

GRADE & PURITY ≥98%

Synonyms

Oprea1_644765 | AS-50270 | STK501588 | 8-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indole | MFCD02931393 | AB12746 | BBL029790 | SCHEMBL411353 | AKOS004119553 | BB 0254388 | O11669 | NCYAUUMFSRUGHL-UHFFFAOYSA-N | FT-0679079 | CCG-327673 | Z335448896 | DTXSID50406

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Oprea1_644765 | AS-50270 | STK501588 | 8-bromo-1H, 2H, 3H, 4H, 5H-pyrido[4, 3-b]indole | MFCD02931393 | AB12746 | BBL029790 | SCHEMBL411353 | AKOS004119553 | BB 0254388 | O11669 | NCYAUUMFSRUGHL-UHFFFAOYSA-N | FT-0679079 | CCG-327673 | Z335448896 | DTXSID50406

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194989
• Sonrisas canónicas: C1CNCC2=C1NC3=C2C=C(C=C3)Br
• IUPAC Name: 8-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
• InChIKey: NCYAUUMFSRUGHL-UHFFFAOYSA-N
• INCHI: 1S/C11H11BrN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2
• Isómeros SMILES: C1CNCC2=C1NC3=C2C=C(C=C3)Br
• Peso molecular: 251.12
• Reaxy-Rn: 10439703
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10439703&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Aralkylamines Benzenoids Aryl bromides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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: 251.120 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 250.011 Da
• Monoisotopic Mass: 250.011 Da
• Topological Polar Surface Area: 27.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 221.000
• 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