6-Bromoisoquinolin-3-amine - ≥95% , CAS No.891785-28-7

CAS: 891785-28-7 Cat. No.: B293923 Peso molecular: 223.069 Número EC: 640-935-7

GRADE & PURITY ≥95%

Synonyms

BCP29210 | EN300-119954 | 6-bromo-3-isoquinolinamine | AM20061599 | 6-Bromoisoquinolin-3-amine, AldrichCPR | BB 0261216 | A843082 | DTXSID30672057 | FT-0646669 | J-518438 | MB09260 | SY031502 | GS-6635 | 6-bromanylisoquinolin-3-amine | 3-Amino-6-bromoisoq

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

BCP29210 | EN300-119954 | 6-bromo-3-isoquinolinamine | AM20061599 | 6-Bromoisoquinolin-3-amine, AldrichCPR | BB 0261216 | A843082 | DTXSID30672057 | FT-0646669 | J-518438 | MB09260 | SY031502 | GS-6635 | 6-bromanylisoquinolin-3-amine | 3-Amino-6-bromoisoq

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

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

• Pubchem Sid: 504770635
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770635
• Sonrisas canónicas: C1=CC2=CN=C(C=C2C=C1Br)N
• IUPAC Name: 6-bromoisoquinolin-3-amine
• InChIKey: PQKLBIXLXFRNKT-UHFFFAOYSA-N
• INCHI: 1S/C9H7BrN2/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H,(H2,11,12)
• Isómeros SMILES: C1=CC2=CN=C(C=C2C=C1Br)N
• Peso molecular: 223.069
• Reaxy-Rn: 10531828
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10531828&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Isoquinolines and derivatives Aminopyridines and derivatives Imidolactams Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Isoquinoline - Aminopyridine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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

• Índice de refracción: 1.732
• Punto de inflamación (°C): 188.2ºC
• Punto de ebullición (°C): 387.6ºC at 760 mmHg
• Peso molecular: 223.070 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 221.979 Da
• Monoisotopic Mass: 221.979 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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