6-Bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline - ≥95% , CAS No.135631-91-3

CAS: 135631-91-3 Cat. No.: B181279 Peso molecular: 240.14 Número EC: 839-077-8

GRADE & PURITY ≥95%

Synonyms

6-Bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline hydrochloride | 6-Bromo-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline hydrochloride | W-205471 | SY033746 | 1187830-63-2 | 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline;hydrochloride | FT-0645794 | 6-BROMO-1,2,

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

6-Bromo-4, 4-dimethyl-1, 2, 3, 4-tetrahydroquinoline hydrochloride | 6-Bromo-4, 4-dimethyl-1, 2, 3, 4-tetrahydro-quinoline hydrochloride | W-205471 | SY033746 | 1187830-63-2 | 6-bromo-4, 4-dimethyl-2, 3-dihydro-1H-quinoline;hydrochloride | FT-0645794 | 6-BROMO-1, 2,

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1(CCNC2=C1C=C(C=C2)Br)C.Cl
• IUPAC Name: 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline;hydrochloride
• InChIKey: LVPXLOLJEQJSLT-UHFFFAOYSA-N
• INCHI: 1S/C11H14BrN.ClH/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11;/h3-4,7,13H,5-6H2,1-2H3;1H
• Isómeros SMILES: CC1(CCNC2=C1C=C(C=C2)Br)C.Cl
• Peso molecular: 240.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Aryl bromides Azacyclic compounds Organobromides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Aryl halide - Aryl bromide - Secondary amine - Azacycle - Hydrochloride - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 276.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 275.008 Da
• Monoisotopic Mass: 275.008 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 191.000
• 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: 2

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