beta-(aminomethyl)hydrocinnamicacid
4-Amino-3-phenylbutyric acid
CAS: 1078-21-3
Molecular Formula: C10H13NO2
beta-(aminomethyl)hydrocinnamicacid - Names and Identifiers
beta-(aminomethyl)hydrocinnamicacid - Physico-chemical Properties
| Molecular Formula | C10H13NO2 |
| Molar Mass | 179.22 |
| Density | 1.1248 (rough estimate) |
| Melting Point | 252.5°C (rough estimate) |
| Boling Point | 311.75°C (rough estimate) |
| Flash Point | 152.1°C |
| 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). |
| Vapor Presure | 7.98E-05mmHg at 25°C |
| pKa | 4.10±0.10(Predicted) |
| Storage Condition | Room Temprature |
| Refractive Index | 1.5710 (estimate) |
beta-(aminomethyl)hydrocinnamicacid - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Hazard Class | IRRITANT |
| Toxicity | TDLo orl-hmn: 5 mg/kg:CNS BEXBAN 57,52,64 |
beta-(aminomethyl)hydrocinnamicacid - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | 4-amino -3-phenylbutyric acid hydrochloride is often used to prepare antidepressants. it is a very important pharmaceutical intermediate and can be used in laboratory research and development process and chemical and pharmaceutical production process. |
| Preparation | (1) From benzoyl chloride and ethyl acetoacetate as raw materials, after condensation and hydrolysis of ethyl benzoyl acetate, benzaldehyde and nitromethane Condensation to form trans-nitro styrene, then the two are added Micheal, the adduct is hydrogenated with Raney nickel, and finally hydrolyzed in concentrated hydrochloric acid to form fenib. |
| biological activity | Phenibut (Aminophenylbutyric acid, Fenibut, Phenigam, Phenybut, PhGABA, β-Phenyl-γ-aminobutyric acid, β-Phenyl-GABA), as a GABA analog, is a sedative targeting the central nervous system and has anti-anxiety and sedative effects. |
| Target | Value |
| use | as an antidepressant |
Last Update：2024-04-09 15:16:47
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