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

CAS: 58509-59-4 Cat. No.: D589565 Molecular Weight: 162.19 EC Number: 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

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

Specifications & Purity

≥98%, mixture of isomers

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504773428
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773428
• Canonical Smiles: 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
• Isomeric SMILES: C1CC2=C(C(=NO)C1)N=CC=C2
• Molecular Weight: 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
    • Class Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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