Acetamide, 2-amino-N-(2,2,2-trifluoroethyl)-, hydrochloride (1:1)
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Acetamide, 2-amino-N-(2,2,2-trifluoroethyl)-, hydrochloride (1:1)
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CAS No:
1171331-39-7
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Formula:
C4H7F3N2O.ClH
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Chemical Name:
Acetamide, 2-amino-N-(2,2,2-trifluoroethyl)-, hydrochloride (1:1)
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Synonyms:
Acetamide,2-amino-N-(2,2,2-trifluoroethyl)-,hydrochloride (1:1);2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride
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CAS No:
Acetamide, 2-amino-N-(2,2,2-trifluoroethyl)-, hydrochloride (1:1) Basic Attributes
192.5673296
192.027725
806-518-0
Safety Information
|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|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Acetamide, 2-amino-N-(2,2,2-trifluoroethyl)-, hydrochloride (1:1) Use and Manufacturing
2-/V-(te/f-Butoxycarbonyl)-1 -oxo-1-N-(2, 2, 2-trifluoroethyl)-1 , 2-diaminoethane (1 eq) was dissolved in 2M HCI/MeOH and stirred for 12 h at room temperature. The reaction mixture was concentrated under reduced pressure till dryness to afford the title compound in quantitative yield.A portion of the product of Example 2, Step A (11.7 g) was diluted with ethyl acetate (50 mL) and treated with hydrogen chloride gas at 18-35.5 °C until the starting material was consumed. The resulting slurry was cooled to 0-5 °C, stirred for approximately 1 hour at that temperature, and then filtered. The residue was washed twice with ethyl acetate (20 ml each) and dried in a vacuum oven at 60°C to give the title compound as a white solid (7.22 g, 66percent yield).1H NMR (DMSO-dExample 95
Computed Properties
Molecular Weight:192.57
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:192.0277251
Monoisotopic Mass:192.0277251
Topological Polar Surface Area:55.1
Heavy Atom Count:11
Complexity:122
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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