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Home> Hot Product Listed 4   > 4-(3,6-dioxo-1,2-diazinan-1-yl)-n-[1-(5-methylfuran-2-yl)ethyl]benzamide
380828-77-3 structure

4-(3,6-dioxo-1,2-diazinan-1-yl)-n-[1-(5-methylfuran-2-yl)ethyl]benzamide

Iupac Name:4-(4-chlorophenoxy)cyclohexan-1-amine;hydrochloride
CAS No.:380828-77-3
Molecular Weight:262.174
Molecular Formula:C11H13CLFN3O2 (isomer)
Names and Identifiers
Synonyms

MCULE-6028281349 MOLPORT-020-066-746 Z828237182

Inchi
InChI=1S/C12H16ClNO.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-2,5-6,10,12H,3-4,7-8,14H2;1H
InChkey
UCHKIOSHQXHFTR-UHFFFAOYSA-N
Canonical Smiles
C1CC(CCC1N)OC2=CC=C(C=C2)Cl.Cl
Computational chemical data
  • Molecular Weight:262.174g/mol
  • Molecular Formula:C11H13CLFN3O2
  • Compound Is Canonicalized:True
  • Exact Mass:261.069
  • Monoisotopic Mass:261.069
  • Complexity:184
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:16
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADceByIAAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABAAAAHgIQAAAACD7hkCYwBoBABACA ACBCAAACCAAgJQAIiIAGCogMJiKFsxqCOCCk0BEIqAewQAAAACAAAAAAAAAAwAAAAAAAAAAAAAAA AA==
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