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Home> Hot Product Listed 6   > 6-(2-(4'-Fluoro-3,3',5-trimethyl(1,1'-biphenyl)-2-yl)ethenyl)tetrahydro-4-hydroxy-2H-pyran-2-one (4a...
5028-17-1 structure

6-(2-(4'-Fluoro-3,3',5-trimethyl(1,1'-biphenyl)-2-yl)ethenyl)tetrahydro-4-hydroxy-2H-pyran-2-one (4alpha,6beta(E))-DL-

Iupac Name:2-(4-methylpiperazin-1-yl)pyridin-3-amine
CAS No.:5028-17-1
EINECS(EC#): 500-118-7
Molecular Weight:192.266
Molecular Formula:C12H26O8 (isomer)
Names and Identifiers
Synonyms

(4R,6S)-6-[(E)-2-(4'-fluoro-3,3',5-trimethylbiphenyl-2-yl)ethenyl]-4-hydroxytetrahydro-2H-pyran-2-one 2H-Pyran-2-one, 6-((1E)-2-(4'-fluoro-3,3',5-trimethyl(1,1'-biphenyl)-2-yl)ethenyl)tetrahydro-4-hydroxy-, (4R,6S)-rel- 2H-Pyran-2-one, 6-(2-(4'-fluoro-3,3',5-trimethyl(1,1'-biphenyl)-2-yl)ethenyl)tetrahydro-4-hydroxy-, (4alpha,6beta(E))-(+-)- 2H-Pyran-2-one, 6-(2-(4'-fluoro-3,3',5-trimethyl(1,1'-biphenyl)-2-yl)ethenyl)tetrahydro-4-hydroxy-, (4R,6S)- 2H-pyran-2-one, 6-[(E)-2-(4'-fluoro-3,3',5-trimethyl[1,1'-biphenyl]-2-yl)ethenyl]tetrahydro-4-hydroxy-, (4R,6S)-

Inchi
InChI=1S/C10H16N4/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10/h2-4H,5-8,11H2,1H3
InChkey
IFHQJBQZOLOOHW-UHFFFAOYSA-N
Canonical Smiles
CN1CCN(CC1)C2=C(C=CC=N2)N
Properties
Melting Point
112-114°C
Boiling Point
321.8°Cat760mmHg
Refractive Index
1.593
Flash Point
188.2°C
Safety and Handling
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:192.266g/mol
  • Molecular Formula:C12H26O8
  • Compound Is Canonicalized:True
  • Exact Mass:192.137
  • Monoisotopic Mass:192.137
  • Complexity:177
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:45.4A^2
  • Heavy Atom Count:14
  • 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: AAADceBzgAAAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHAAQAAAACAjBEgQ/8JNIEACg ADZnZACCgCkxEiAJ2CA4dJiIYOLAmZGUIAhokALIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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