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Home> Hot Product Listed T   > T6751648
175867-01-3 structure

T6751648

Iupac Name:4-(2-methoxyethoxy)cyclohexan-1-amine
CAS No.:175867-01-3
Molecular Weight:173.256
Molecular Formula:C22H19N5O3 (isomer)
Names and Identifiers
Synonyms

MCULE-8465013190 MOLPORT-009-174-162 n-cyclooctyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide Z316424348 ZINC58161039

Inchi
InChI=1S/C9H19NO2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h8-9H,2-7,10H2,1H3
InChkey
YFUKJAYFLVIFPJ-UHFFFAOYSA-N
Canonical Smiles
COCCOC1CCC(CC1)N
Computational chemical data
  • Molecular Weight:173.256g/mol
  • Molecular Formula:C22H19N5O3
  • Compound Is Canonicalized:True
  • Exact Mass:173.142
  • Monoisotopic Mass:173.142
  • Complexity:111
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:44.5A^2
  • Heavy Atom Count:12
  • 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: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHgAQAAAACDzhgAYCAABABAAA AAAAAAAAAAAAAAAAAIAAAAABAAIAgAACAAAEEAACAAGwQAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAA AA==
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