Diethylamine salicylateProduct ingredient for Salicylic acid
- Name
- Diethylamine salicylate
- Drug Entry
- Salicylic acid
A compound obtained from the bark of the white willow and wintergreen leaves, and also prepared synthetically. It has bacteriostatic, fungicidal, and keratolytic actions. Its salts, the salicylates, are used as analgesics.
- Accession Number
- DBSALT003018
- Structure
Structure for Diethylamine salicylate (DBSALT003018)
- Synonyms
- Diethylammonium salicylate
- UNII
- 5V7PT38BJU
- CAS Number
- 4419-92-5
- Weight
- Average: 211.261
Monoisotopic: 211.120843411 - Chemical Formula
- C11H17NO3
- InChI Key
- JGMKRAUEFASZKH-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3
- IUPAC Name
- diethylazanium 2-hydroxybenzoate
- SMILES
- CC[NH2+]CC.OC1=C(C=CC=C1)C([O-])=O
- External Links
- ChemSpider
- 19278
- Predicted Properties
Property Value Source Water Solubility 0.397 mg/mL ALOGPS logP 1.35 ALOGPS logP 1.98 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 2.79 Chemaxon pKa (Strongest Basic) -6.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.36 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 46.13 m3·mol-1 Chemaxon Polarizability 12.38 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon