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Home> Hot Product Listed Q   > QXOQTSSYYDIDFD-UHFFFAOYSA-N
40224-10-0 structure

QXOQTSSYYDIDFD-UHFFFAOYSA-N

Iupac Name:1-(2-ethylphenyl)piperazine
CAS No.:40224-10-0
Molecular Weight:190.29
Molecular Formula:C26H27N3O5S2 (isomer)
Names and Identifiers
Synonyms

4-bromo-n-(2-fluoro-4-methyl-phenyl)-benzenesulfon 4-bromo-n-(2-fluoro-4-methylphenyl)benzenesulfonamide 4-bromo-n-(2-fluoro-4-methyl-phenyl)-benzenesulfonamide 4-BroMo-N-(2-fluoro-4-Methylphenyl)benzenesulfonaMide, 97% mfcd12650451 SC-56548 SCHEMBL3075935 ZINC16147239

Inchi
InChI=1S/C12H18N2/c1-2-11-5-3-4-6-12(11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChkey
LMQFWBCKQMNEEH-UHFFFAOYSA-N
Canonical Smiles
CCC1=CC=CC=C1N2CCNCC2
Properties
Refractive Index
1.535
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26
Computational chemical data
  • Molecular Weight:190.29g/mol
  • Molecular Formula:C26H27N3O5S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.7
  • Exact Mass:190.147
  • Monoisotopic Mass:190.147
  • Complexity:164
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:15.3A^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: AAADceBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHAAQAAAADAjBGAQywIPAAACA AiRCQACCAAAhAgAIiIAIZIgIYCLAkZGUIAhgkADIyAcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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