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Home> Hot Product Listed F   > F5833-6831
90-52-8 structure

F5833-6831

Iupac Name:6-methoxyquinolin-8-amine
CAS No.:90-52-8
Molecular Weight:174.203
Molecular Formula:C18H23N5O2 (isomer)
Names and Identifiers
Synonyms

AKOS024521398 MCULE-4974586804 MOLPORT-009-744-603 n-(4-methyl-3-(2-oxopiperidin-1-yl)phenyl)isoxazole-5-carboxamide VU0522963-1 ZINC38698867

Inchi
InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3
InChkey
YGGTVPCTAKYCSQ-UHFFFAOYSA-N
Canonical Smiles
COC1=CC(=C2C(=C1)C=CC=N2)N
Properties
Melting Point
52 °C
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 90-52-8 EC: F5833-6831 ·ECHA C&L Inventory for CAS: CAS: 90-52-8 EC: F5833-6831
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:174.203g/mol
  • Molecular Formula:C18H23N5O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:174.079
  • Monoisotopic Mass:174.079
  • Complexity:174
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:48.1A^2
  • Heavy Atom Count:13
  • 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: AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAQAAAADAzBngY+xvJIFACg AzRnRACCiCAxMiAI2CA+fJgMZuLEsZuUMChm0BnI6Aew0LEOAEABQgACACAAgAKEAAQAQAAAAAAA AA==
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