| CAS: | 1078-21-3 |
| MF: | C10H13NO2 |
| MW: | 179.22 |
| EINECS: | 214-079-6 |
| Product Categories: | Amino Acid;Inhibitors;Organic acids;Nutritions & Sterides;API |
| Mol File: | 1078-21-3.mol |
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| Phenibut Chemical Properties |
| Melting point | 252.5°C (rough estimate) |
| Boiling point | 311.75°C (rough estimate) |
| density | 1.1248 (rough estimate) |
| refractive index | 1.5710 (estimate) |
| solubility | Free base: 35 mg/mL in DMSO (195.29 mM) at 25 °C (SellekChem, 2019).Hydrochloride salt (Cayman, 2016): 25 mg/ml in DMF; 20 mg/ml in DMSO; 14 mg/ml in ethanol; 10 mg/mL in PBS (pH 7.2). |
| pka | 4.10±0.10(Predicted) |
| form | solid |
| color | White |
| InChI | InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13) |
| InChIKey | DAFOCGYVTAOKAJ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CC(C1=CC=CC=C1)CN |
| CAS DataBase Reference | 1078-21-3(CAS DataBase Reference) |
| EPA Substance Registry System | Benzenepropanoic acid, .beta.-(aminomethyl)- (1078-21-3) |
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