1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl- , CAS No.133671-66-6

CAS: 133671-66-6 Cat. No.: E1260617 Peso molecular: 281.35 PubChem CID: 453072

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=CO3
• IUPAC Name: N-[2-(furan-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
• InChIKey: CRGKLHXVNVZAPA-UHFFFAOYSA-N
• INCHI: 1S/C17H19N3O/c1-20(2)10-9-18-15-12-16(17-8-5-11-21-17)19-14-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
• Isómeros SMILES: CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=CO3
• PubChem CID: 453072
• Peso molecular: 281.35

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: 4-aminoquinolines
• Alternative Parents: Secondary alkylarylamines Aminopyridines and derivatives Benzenoids Heteroaromatic compounds Furans Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Aminopyridine - Secondary aliphatic/aromatic amine - Pyridine - Benzenoid - Furan - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of 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

• Peso molecular: 281.350 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 281.153 Da
• Monoisotopic Mass: 281.153 Da
• Topological Polar Surface Area: 41.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 323.000
• 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