2-Amino-3-fluorobutyric acid, a chemical compound with the formula C4H8FNO2, is a gamma-aminobutyric acid (GABA) analogue that features a fluorine atom at the third position of the carbon chain. This structural modification endows it with unique properties and potential applications in the pharmaceutical and medicinal chemistry fields.
50885-01-3
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Basic information
- Product Name: 2-AMINO-3-FLUOROBUTYRIC ACID
- Synonyms: 2-AMINO-3-FLUOROBUTYRIC ACID;2-Amino-3-fluorobutyric acid 97%;2-Amino-3-fluorobutyricacid97%;2-Amino-3-fluorobutanoic acid 97%;2-Amino-3-fluorobutanoicacid97%
- CAS NO:50885-01-3
- Molecular Formula: C4H8FNO2
- Molecular Weight: 121.11
- EINECS: N/A
- Product Categories: N/A
- Mol File: 50885-01-3.mol
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Chemical Properties
- Melting Point: 186-187
- Boiling Point: 248.3 °C at 760 mmHg
- Flash Point: 104 °C
- Appearance: /
- Density: 1.222 g/cm3
- Vapor Pressure: 0.00782mmHg at 25°C
- Refractive Index: 1.433
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 1.89±0.10(Predicted)
- CAS DataBase Reference: 2-AMINO-3-FLUOROBUTYRIC ACID(CAS DataBase Reference)
- NIST Chemistry Reference: 2-AMINO-3-FLUOROBUTYRIC ACID(50885-01-3)
- EPA Substance Registry System: 2-AMINO-3-FLUOROBUTYRIC ACID(50885-01-3)
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Safety Data
- Hazard Codes: Xi
- Statements: N/A
- Safety Statements: 24/25
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 50885-01-3(Hazardous Substances Data)
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50885-01-3 Usage
Uses
Used in Pharmaceutical Development:2-Amino-3-fluorobutyric acid is used as a GABA agonist for the development of new pharmaceuticals targeting neurological disorders. Its agonistic action on GABA receptors can potentially alleviate symptoms of conditions such as epilepsy and anxiety by modulating the GABAergic neurotransmission in the central nervous system.
Used in Medicinal Chemistry and Drug Design:
Due to its structural similarity to GABA and the presence of a fluorine atom, 2-amino-3-fluorobutyric acid is utilized in medicinal chemistry and drug design. Its unique structure allows for the exploration of novel mechanisms of action and the development of more effective and selective drugs for the treatment of neurological disorders.
Check Digit Verification of cas no
The CAS Registry Mumber 50885-01-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,8,8 and 5 respectively; the second part has 2 digits, 0 and 1 respectively.Calculate Digit Verification of CAS Registry Number 50885-01:
(7*5)+(6*0)+(5*8)+(4*8)+(3*5)+(2*0)+(1*1)=123
123 % 10 = 3
So 50885-01-3 is a valid CAS Registry Number.
InChI:InChI=1/C4H8FNO2/c1-2(5)3(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)
50885-01-3Upstream product
50885-01-3Downstream Products
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2-AMINO-3-FLUOROBUTYRIC ACID
