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Home> Hot Product Listed 1   > 1-[1-(4-fluorophenyl)-5-methyl-1h-pyrazol-4-yl]ethan-1-amine
1160-28-7 structure

1-[1-(4-fluorophenyl)-5-methyl-1h-pyrazol-4-yl]ethan-1-amine

Iupac Name:8-(quinolin-8-yldisulfanyl)quinoline
CAS No.:1160-28-7
Molecular Weight:320.428
Molecular Formula:C15H20N6O2 (isomer)
Names and Identifiers
Synonyms

AC1Q2B6F EN300-57724 NE39204

Inchi
InChI=1S/C18H12N2S2/c1-5-13-7-3-11-19-17(13)15(9-1)21-22-16-10-2-6-14-8-4-12-20-18(14)16/h1-12H
InChkey
ZGPTTYFYQZTJQN-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)SSC3=CC=CC4=C3N=CC=C4)N=CC=C2
Properties
Melting Point
200-208 °C
Refractive Index
1.792
HS Code
29334990
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S36/37/39
Computational chemical data
  • Molecular Weight:320.428g/mol
  • Molecular Formula:C15H20N6O2
  • Compound Is Canonicalized:True
  • Exact Mass:320.044
  • Monoisotopic Mass:320.044
  • Complexity:331
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:76.4A^2
  • Heavy Atom Count:22
  • 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: AAADccB7AABgAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHAQAAAAADAjBXgQ8wfIIEACg AzRnRACGgCAxAiAI2Dw4ZJgIIOLAkZGEIAhggADIyAcQgIAOAAAAgAACAQAAAAEAAAQCAAAAAAAA AA==
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