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Home> Hot Product Listed F   > F0621-0091
517-56-6 structure

F0621-0091

Iupac Name:(6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,11-diol
CAS No.:517-56-6
Molecular Weight:327.38
Molecular Formula:C10H19N (isomer)
Names and Identifiers
Synonyms

AC1MP61S AKOS024588164 CHEMBL2094277 dndi1417875 MCULE-7132905027 MOLPORT-003-034-586 n-(4-(5-(furan-2-yl)-1-pivaloyl-4,5-dihydro-1h-pyrazol-3-yl)phenyl)methanesulfonamide n-[4-[2-(2,2-dimethylpropanoyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

Inchi
InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1
InChkey
WHFUDAOCYRYAKQ-LBPRGKRZSA-N
Canonical Smiles
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC
Isomers Smiles
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC
Properties
Melting Point
245℃
Refractive Index
1.638
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:327.38g/mol
  • Molecular Formula:C10H19N
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.2
  • Exact Mass:327.147
  • Monoisotopic Mass:327.147
  • Complexity:461
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:62.2A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:1
  • 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: AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAADxQAAAHgAACAAADCzBmAYyBoMABgCA AiBCAACCCAAgIAAIiAAOjIgNJiKGsRuEcCtkwBGLuAfw8P8OoAADAAAYQADQAAaAADSAAAAAAAAA AA==
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  • Tel:+86-519-86339586,13584329896
  • Fax:
  • Tel:+86-571-85378921
  • Fax:
  • Tel:+86-0311-66562153
  • Fax:
  • Tel:0086-028-85249238
  • Fax:
  • Tel:+86-21-51320588 ext. 8025
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  • Tel:+86-571-86050390 87153572
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