Sodium phenylacetateProduct ingredient for Phenylacetic acid
- Name
- Sodium phenylacetate
- Drug Entry
- Phenylacetic acid
Phenylacetic acid is an organic compound containing a phenyl functional group and a carboxylic acid functional group. It is a white solid with a disagreeable odor. Because it is used in the illicit production of phenylacetone (used in the manufacture of substituted amphetamines), it is subject to controls in countries including the United States and China.
- Accession Number
- DBSALT001277
- Structure
Structure for Sodium phenylacetate (DBSALT001277)
- Synonyms
- Not Available
- UNII
- 48N6U1781G
- CAS Number
- 114-70-5
- Weight
- Average: 158.132
Monoisotopic: 158.03437375 - Chemical Formula
- C8H7NaO2
- InChI Key
- HZOREEUASZHZBI-UHFFFAOYSA-M
- InChI
- InChI=1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
- IUPAC Name
- sodium 2-phenylacetate
- SMILES
- [Na+].[O-]C(=O)CC1=CC=CC=C1
- External Links
- ChemSpider
- 7947
- ChEMBL
- CHEMBL1200358
- PharmGKB
- PA165950342
- Wikipedia
- Phenylacetic_acid
- Predicted Properties
Property Value Source Water Solubility 5.92 mg/mL ALOGPS logP 1.41 ALOGPS logP 1.61 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 4.55 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 40.13 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 48.2 m3·mol-1 Chemaxon Polarizability 13.43 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon