3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID
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![3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e744bbf943d64111af85562d5d796441.png "3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID")
3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID
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CAS No:
143438-91-9
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Formula:
C10H10F3NO2
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Chemical Name:
3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID
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Synonyms:
RARECHEM AK HW 0018;3-[3-(TRIFLUOROMETHYL)PHENYL]-BETA-ALANINE;3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID;3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID;DL-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID;DL-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PHENYLPROPIONIC ACID;3-TrifluoroMethyl-DL-b-phenylalanine;3-(1-Amino-2-carboxyethyl)benzotrifluoride, 3-Amino-3-[3-(trifluoromethyl)phenyl]propionic acid
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CAS No:
3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID Basic Attributes
233.19
233.066360
DTXSID20382416
Characteristics
63.3
-0.5
1.361±0.06 g/cm3(Predicted)
210-212°C
295.2±40.0 °C(Predicted)
132.3±27.3 °C
1.502
0.0007mmHg at 25°C
Safety Information
IRRITANT
Xi
Irritant
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID Use and Manufacturing
(0549) (0550) A mixture of malonic acid (298.82 g, 2872 mmol), ammonium formate (362.14 g, 5743 mmol) and 3-(trifluoromethyl)benzaldehyde (500 g, 2873 mmol) in ethanol (1000 mL) was refluxed for 12 h. The reaction mixture was evaporated to remove ethanol and the residue was triturated with acetone (2500 mL). The solid was filtered and dried to afford 3-amino-3-[3-(trifluorome- thyl)phenyl]propanoic acid (255 g) as white solid. (0551) NMR (400 MHz, AcOH-d
Computed Properties
Molecular Weight:233.19
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:233.06636305
Monoisotopic Mass:233.06636305
Topological Polar Surface Area:63.3
Heavy Atom Count:16
Complexity:255
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID
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InquiryCAS No.: 143438-91-9Grade: Pharmaceutical GradeContent: 99%
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3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID
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