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Substance Name: Pargolol [INN]
RN: 47082-97-3
UNII: 5OPO851W5L
InChIKey: UFNAECVCKNHAKN-UHFFFAOYSA-N

Molecular Formula

  • C16-H23-N-O3

Molecular Weight

  • 277.362
 
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Names and Synonyms

Name of Substance

  • Pargolol
  • Pargolol [INN]

Synonyms

  • 1-(tert-Butylamino)-3-(o-(2-propynyloxy)phenoxy)-2-propanol
  • Pargolol
  • Pargololum
  • Pargololum [INN-Latin]
  • UNII-5OPO851W5L

Systematic Name

  • 1-(tert-Butylamino)-3-(o-(2-propynyloxy)phenoxy)-2-propanol

Registry Numbers

CAS Registry Number

  • 47082-97-3

FDA UNII

  • 5OPO851W5L

System Generated Number

  • 0047082973

Structure Descriptors

InChI

1S/C16H23NO3/c1-5-10-19-14-8-6-7-9-15(14)20-12-13(18)11-17-16(2,3)4/h1,6-9,13,17-18H,10-12H2,2-4H3

InChIKey

UFNAECVCKNHAKN-UHFFFAOYSA-N

Smiles

O(c1c(OC[C@@H](O)CNC(C)(C)C)cccc1)CC#C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.32 (none)   EXP
Water Solubility 1760 mg/L 25 EST
Vapor Pressure 8.51E-08 mm Hg 25 EST
Henry's Law Constant 1.40E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.23E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.