6,7-Dihydroquinolin-8(5H)-one oxime - ≥98%, mixture of isomers , CAS No.58509-59-4

CAS: 58509-59-4 Cat. No.: D589565 Peso molecular: 162.19 Número EC: 176-810-4

GRADE & PURITY ≥98%, mixture of isomers

Synonyms

CDBBPOISMDNVNQ-UHFFFAOYSA-N | N-(6,7-dihydro-5H-quinolin-8-ylidene)hydroxylamine | 6,7-Dihydroquinolin-8(5H)-one Oxime | 8-Oximino-5,6,7,8-tetrahydroquinoline | MFCD20921531 | 6,7-dihydro-8(5H)-quinolinone oxime | C11534 | 8-(Hydroxyimino)-5,6,7,8-tetrahy

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

CDBBPOISMDNVNQ-UHFFFAOYSA-N | N-(6, 7-dihydro-5H-quinolin-8-ylidene)hydroxylamine | 6, 7-Dihydroquinolin-8(5H)-one Oxime | 8-Oximino-5, 6, 7, 8-tetrahydroquinoline | MFCD20921531 | 6, 7-dihydro-8(5H)-quinolinone oxime | C11534 | 8-(Hydroxyimino)-5, 6, 7, 8-tetrahy

Especificaciones y pureza

≥98%, mixture of isomers

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504773428
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773428
• Sonrisas canónicas: C1CC2=C(C(=NO)C1)N=CC=C2
• IUPAC Name: N-(6,7-dihydro-5H-quinolin-8-ylidene)hydroxylamine
• InChIKey: CDBBPOISMDNVNQ-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2O/c12-11-8-5-1-3-7-4-2-6-10-9(7)8/h2,4,6,12H,1,3,5H2
• Isómeros SMILES: C1CC2=C(C(=NO)C1)N=CC=C2
• Peso molecular: 162.19
• Reaxy-Rn: 1452563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1452563&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: Polyhalopyridines Hydroxypyridines 2-halopyridines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Aldimines Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Polyhalopyridine - 2-halopyridine - Hydroxypyridine - Pyridine - Heteroaromatic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - 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: 162.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.079 Da
• Monoisotopic Mass: 162.079 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 12
• 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: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1