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Home> Hot Product Listed P   > Phenol,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-3-(2-propen-1-yl)-
241479-72-1 structure

Phenol,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-3-(2-propen-1-yl)-

Iupac Name:(2R,3R)-2-(2,5-difluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
CAS No.:241479-72-1
Molecular Weight:269.252
Molecular Formula:C14H8CL2O4 (isomer)
Names and Identifiers
Synonyms

4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenol 4-Hydroxyalprenolol AC1L57AW phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-3-(2-propenyl)- phenol, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-3-(2-propenyl)- Phenol,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-3-(2-propenyl)- (9CI) p-hydroxyalprenolol

Inchi
InChI=1S/C12H13F2N3O2/c1-8(18)12(19,5-17-7-15-6-16-17)10-4-9(13)2-3-11(10)14/h2-4,6-8,18-19H,5H2,1H3/t8-,12-/m1/s1
InChkey
WYBYSZZTJKCLBE-PRHODGIISA-N
Canonical Smiles
CC(C(CN1C=NC=N1)(C2=C(C=CC(=C2)F)F)O)O
Properties
Density
0.93
Boiling Point
660.5°C at 760 mmHg
Flash Point
246.3°C
Computational chemical data
  • Molecular Weight:269.252g/mol
  • Molecular Formula:C14H8CL2O4
  • Compound Is Canonicalized:True
  • Exact Mass:269.098
  • Monoisotopic Mass:269.098
  • Complexity:311
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:71.2A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:2
  • 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: AAADccBzMYAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHwAICAAADFThmA43EIYIEgCi AiBDJAASAAswgIAdyAAICIiLPiKAmRGEcAAuwAMZmAeQwOAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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