Propylparaben sodiumProduct ingredient for Propylparaben
- Name
- Propylparaben sodium
- Drug Entry
- Propylparaben
Propylparaben is used in allergenic testing.
- Accession Number
- DBSALT002754
- Structure
Structure for Propylparaben sodium (DBSALT002754)
- Synonyms
- Sodium propylparaben
- External IDs
- E-217 / E217
- UNII
- 625NNB0G9N
- CAS Number
- 35285-69-9
- Weight
- Average: 202.185
Monoisotopic: 202.06058849 - Chemical Formula
- C10H11NaO3
- InChI Key
- IXMINYBUNCWGER-UHFFFAOYSA-M
- InChI
- InChI=1S/C10H12O3.Na/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h3-6,11H,2,7H2,1H3;/q;+1/p-1
- IUPAC Name
- sodium 4-(propoxycarbonyl)benzen-1-olate
- SMILES
- [Na+].CCCOC(=O)C1=CC=C([O-])C=C1
- External Links
- ChemSpider
- 34047
- ChEMBL
- CHEMBL2107021
- Predicted Properties
Property Value Source Water Solubility 2.75 mg/mL ALOGPS logP 2.49 ALOGPS logP 2.55 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 8.5 Chemaxon pKa (Strongest Basic) -6.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 49.36 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 59.89 m3·mol-1 Chemaxon Polarizability 18.93 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