Cas no 79261-49-7 (Ibuprofen Potassium)

Ibuprofen Potassium structure
Ibuprofen Potassium structure
Product Name:Ibuprofen Potassium
CAS No:79261-49-7
MF:C13H17KO2
MW:244.371185064316
CID:563100
PubChem ID:23662458
Update Time:2025-04-19

Ibuprofen Potassium Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-methyl-4-(2-methylpropyl)-,potassium salt (1:1)
    • potassium,2-[4-(2-methylpropyl)phenyl]propanoate
    • Potassium 2-(4-isobutylphenyl)propionate
    • Ibuprofen potassium salt
    • Potassium ibuprofen
    • potassium;2-[4-(2-methylpropyl)phenyl]propanoate
    • potassium 2-[4-(2-methylpropyl)phenyl]propanoate
    • EINECS 279-122-3
    • IBUPROFEN POTASSIUM
    • SCHEMBL996940
    • BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, POTASSIUM SALT (1:1)
    • BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, POTASSIUM SALT
    • XJELUCTZEAQYGF-UHFFFAOYSA-M
    • UNII-48304089JJ
    • potassium 2-(4-isobutylphenyl)propanoate
    • NS00090601
    • 79261-49-7
    • DTXSID201000360
    • Q27259099
    • 48304089JJ
    • Ibuprofen Potassium
    • Inchi: 1S/C13H18O2.K/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
    • InChI Key: XJELUCTZEAQYGF-UHFFFAOYSA-M
    • SMILES: [K+].[O-]C(C(C)C1C=CC(=CC=1)CC(C)C)=O

Computed Properties

  • Exact Mass: 206.13068
  • Monoisotopic Mass: 206.13068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Melting Point: 75-77 deg C
  • Boiling Point: 319.6°C at 760 mmHg
  • Flash Point: 216.7°C
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