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CAS NO.1078-21-3
98%(500-1000)Kilogram98%(100-500)Metric Ton
4-Amino-3-phenylbutyric acid
CAS: 1078-21-3
Molecular Formula: C10H13NO2
| 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) |
| Hazard Symbols | Xi - Irritant |
| Hazard Class | IRRITANT |
| Toxicity | TDLo orl-hmn: 5 mg/kg:CNS BEXBAN 57,52,64 |
| 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 |
Mol Download Chemical properties
CAS:
1078-21-3
MF:
C10H13NO2
MW:
179.22
EINECS:
214-079-6
MDL No.:
MFCD00456233
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).
form
solid
pka
4.10±0.10(Predicted)
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
Xi'an Eastling biotech Co., Ltd. is dedicated to the research and development, production, and sales of natural plant extracts; With nearly 15 years of experience in identifying, researching, developing, and producing active ingredients for medicinal plants, we focus on providing innovative products and services to customers in industries such as pharmaceuticals, health food, and cosmetics.
Eastling Biotechnology has established a global direct harvesting system for plant raw materials, ensuring the high quality and authenticity of raw materials, while also protecting the continuity and diversity of plants; Having strong research and development capabilities, we can develop more effective and specialized plant active ingredients for the pharmaceutical, health food, and cosmetics industries; We have established an advanced quality control system, and the quality control of our products depends on advanced testing instruments and high-level technical experts. The effective combination of the two forms Eastling's ability to quickly and rigorously control product quality.
We have a production system that complies with Chinese GMP and American cGMP certifications, as well as advanced and optimized large-scale industrial production technology. In addition to producing specific products for Eastling Biotechnology, we also provide customized services to meet the characteristics and needs of different customers to produce customized products.
We believe that natural active ingredients are the foundation of our service to customers. Scientific and effective production technology is the foundation for us to provide customers with specialized products. We have the ability to serve customers in the pharmaceutical, health food, and cosmetics industries, provide new product solutions, and add new value to their products.