3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
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3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
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CAS No:
117391-49-8
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Formula:
C9H10FNO2
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Chemical Name:
3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
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Synonyms:
RARECHEM AK HC T305;3-AMINO-3-(2-FLUOROPHENYL)PROPANOIC ACID;3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID;DL-3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID;3-amino-3-(2-fluorophenyl)propanoic acid(SALTDATA: FREE);3-Amino-3-(2-fluorophenyl)propanoicacid95%
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CAS No:
Characteristics
63.3
-1.9
1.289±0.06 g/cm3(Predicted)
222-224
302.6±32.0 °C(Predicted)
136.8±25.1 °C
1.554
0.000434mmHg at 25°C
Safety Information
IRRITANT
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID Use and Manufacturing
General procedure: To a solution of malonic acid (1.04g, 10mmol), ammonium formate (1.26g, 20mmol) in ethanol (50ml) was added aromatic aldehyde (10mmol). The resulting mixture was then refluxed for 7h. The reaction mixture was allowed to cool to room temperature and filtrated to yield the crude product. The crude product was further purified by recrystallization (95percent ethanol) to provide the product as a white solid.
Computed Properties
Molecular Weight:183.18
XLogP3:-1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:183.06955672
Monoisotopic Mass:183.06955672
Topological Polar Surface Area:63.3
Heavy Atom Count:13
Complexity:187
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
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CN
3 YRS
Business licensedDistributor Supplier of peptoneInquiryCAS No.: 117391-49-8Grade: Pharmaceutical GradeContent: 99%
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3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
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