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Home> Hot Product Listed 1   > 1-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-6-methyl-quinolinium
610-17-3 structure

1-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-6-methyl-quinolinium

Iupac Name:N,N-dimethyl-2-nitroaniline
CAS No.:610-17-3
Molecular Weight:166.18
Molecular Formula:C10H20O (isomer)
Names and Identifiers
Synonyms

1-(2-(4-methoxyphenyl)-2-oxoethyl)-6-methylquinolin-1-ium bromide 1-(2-(4-methoxyphenyl)-2-oxoethyl)-6-methylquinolinium bromide 1-(4-methoxyphenyl)-2-(6-methylquinolin-1-ium-1-yl)ethanone bromide 34241P AC1MCWC8 AK240582 AKOS024423821 CHEMBL1519121 HMS2819E11 MLS001203490 MOLPORT-002-110-788 smr000516513

Inchi
InChI=1S/C8H10N2O2/c1-9(2)7-5-3-4-6-8(7)10(11)12/h3-6H,1-2H3
InChkey
NPZDNLCYFLDJFA-UHFFFAOYSA-N
Canonical Smiles
CN(C)C1=CC=CC=C1[N+](=O)[O-]
Properties
Melting Point
57-58℃
Refractive Index
1.591
Safety and Handling
Safety Statements
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:166.18g/mol
  • Molecular Formula:C10H20O
  • Compound Is Canonicalized:True
  • Exact Mass:166.074
  • Monoisotopic Mass:166.074
  • Complexity:165
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.1A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAEAAAACAiBEAQywIMQQACB ACRCQwCCAAAhAgAoiAAIdIoIYCLAkZGUIAhggIBIyAcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
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