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Home> Hot Product Listed T   > T6767811
14006-32-7 structure

T6767811

Iupac Name:(4-phenyloxan-4-yl)methanamine
CAS No.:14006-32-7
Molecular Weight:191.274
Molecular Formula:C21H17FN4O (isomer)
Names and Identifiers
Synonyms

MCULE-9572132506 MOLPORT-009-098-434 n4-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine Z815798654

Inchi
InChI=1S/C12H17NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5H,6-10,13H2
InChkey
IPYDNTFWMDEOBW-UHFFFAOYSA-N
Canonical Smiles
C1COCCC1(CN)C2=CC=CC=C2
Properties
Vapour
0.000785mmHg at 25°C
Refractive Index
1.531
Safety and Handling
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:191.274g/mol
  • Molecular Formula:C21H17FN4O
  • Compound Is Canonicalized:True
  • Exact Mass:191.131
  • Monoisotopic Mass:191.131
  • Complexity:169
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2A^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: AAADceByIAAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAAABAAAAHgAQAAAADgDhmAYwAIBABACA AiBCAAACAAAgAAAIiIAAAIgIICKAkRGCIAAkgAAIiAewwOAPgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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