7-Bromo-1,2,3,4-tetrahydroquinoline hydrochloride - ≥96% , CAS No.1195901-53-1

CAS: 1195901-53-1 Cat. No.: B180020 Peso molecular: 248.6

GRADE & PURITY ≥96%

Synonyms

AS-35919 | 7-Bromo-1,2,3,4-tetrahydroquinoline, HCl | 7-bromo-1,2,3,4-tetrahydro-quinoline hcl salt | 7-Bromo-1,2,3,4-tetrahydroquinoline HCl | BCP29598 | 7-Bromo-1,2,3,4-tetrahydroquinoline--hydrogen chloride (1/1) | 7-Bromo-1,2,3,4-tetrahydroquinolinehy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-35919 | 7-Bromo-1, 2, 3, 4-tetrahydroquinoline, HCl | 7-bromo-1, 2, 3, 4-tetrahydro-quinoline hcl salt | 7-Bromo-1, 2, 3, 4-tetrahydroquinoline HCl | BCP29598 | 7-Bromo-1, 2, 3, 4-tetrahydroquinoline--hydrogen chloride (1/1) | 7-Bromo-1, 2, 3, 4-tetrahydroquinolinehy

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488201103
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201103
• Sonrisas canónicas: C1CC2=C(C=C(C=C2)Br)NC1.Cl
• IUPAC Name: 7-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride
• InChIKey: KPGKNWBIPSLETQ-UHFFFAOYSA-N
• INCHI: 1S/C9H10BrN.ClH/c10-8-4-3-7-2-1-5-11-9(7)6-8;/h3-4,6,11H,1-2,5H2;1H
• Isómeros SMILES: C1CC2=C(C=C(C=C2)Br)NC1.Cl
• Peso molecular: 248.6
• Reaxy-Rn: 18627224
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18627224&ln=

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

• Peso molecular: 248.550 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 246.976 Da
• Monoisotopic Mass: 246.976 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 138.000
• 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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