Ethanamine, 2-chloro-N-methyl-, hydrochloride (1:1)
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Ethanamine, 2-chloro-N-methyl-, hydrochloride (1:1)
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CAS No:
4535-90-4
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Formula:
C3H8ClN.ClH
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Chemical Name:
Ethanamine, 2-chloro-N-methyl-, hydrochloride (1:1)
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Synonyms:
Ethanamine,2-chloro-N-methyl-,hydrochloride (1:1);Ethylamine,2-chloro-N-methyl-,hydrochloride;Ethanamine,2-chloro-N-methyl-,hydrochloride;2-(Methylamino)ethyl chloride hydrochloride;2-Chloro-N-methylethylamine hydrochloride;N-Methyl-2-chloroethylamine hydrochloride;2-Chloro-N-methylethanamine hydrochloride;(2-Chloroethyl)(methyl)amine hydrochloride
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CAS No:
Ethanamine, 2-chloro-N-methyl-, hydrochloride (1:1) Basic Attributes
130.02
129.011200
224-882-3
2921199090
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Ethanamine, 2-chloro-N-methyl-, hydrochloride (1:1) Use and Manufacturing
To a solution of 2-(methylamino)ethanol (400 pL, 5.00 mmol, 1.0 equiv.) in chloroform (50 mL)was added, under argon at 0°C, thionyle chloride (1.09 mL, 15.0 mmol, 3.0 equiv.). After 17 h of stirring at 50°C, the solvent was concentrated until approximatively 10 mL, then diethyl ether (40 mL) was added to precipitate the compound which was collected on a fritglass, washed several times diethyl ether and dried with a vane pump during one night to afford compound A0219 (567 mg, 4.36 mmol) as a white solid in 87percent yield which was used in the next step without further purification. 1H NMR (400 MHz, MeOD) 5 3.91 (t, J = 5.4 Hz, 2H, CH2CI), 3.42 (t, J = 5.4 Hz, 2H, CH2N), 2.77 (s, 3H, CH3N). 13C NMR (100 MHz, MeOD) 551.46 (CH2N), 40.22 (CH2CI), 33.64 (CH3N).To a stirred solution of 2-(methylamino)ethanol hydrochloride (29.7 g, 1.0 eq) in 150 mL CHCITo a solution of 2-(methylamino)ethanol (400 pL, 5.00 mmol, 1.0 equiv.) in chloroform (50 mL)was added, under argon at 0°C, thionyle chloride (1.09 mL, 15.0 mmol, 3.0 equiv.). After 17 h of stirring at 50°C, the solvent was concentrated until approximatively 10 mL, then diethyl ether (40 mL) was added to precipitate the compound which was collected on a fritglass, washed several times diethyl ether and dried with a vane pump during one night to afford compound A0219 (567 mg, 4.36 mmol) as a white solid in 87percent yield which was used in the next step without further purification. 1H NMR (400 MHz, MeOD) 5 3.91 (t, J = 5.4 Hz, 2H, CH2CI), 3.42 (t, J = 5.4 Hz, 2H, CH2N), 2.77 (s, 3H, CH3N). 13C NMR (100 MHz, MeOD) 551.46 (CH2N), 40.22 (CH2CI), 33.64 (CH3N).To a stirred solution of 2-(methylamino)ethanol hydrochloride (29.7 g, 1.0 eq) in 150 mL CHCI
2-Chloro-N-Methylethanamine Hydrochloride is an aminoalkoxyimino derivative used in the preparation of amino derivatives of B-homoandrostanes and B-heteroandrostanes for the treatment of cardiovascular disorders.
Computed Properties
Molecular Weight:130.01
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:129.0112047
Monoisotopic Mass:129.0112047
Topological Polar Surface Area:16.6
Heavy Atom Count:6
Complexity:16.4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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