2-Propanone, 1-amino-, hydrochloride
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2-Propanone, 1-amino-, hydrochloride
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CAS No:
7737-17-9
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Formula:
C3H7NO.ClH
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Chemical Name:
2-Propanone, 1-amino-, hydrochloride
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Synonyms:
2-Propanone,1-amino-,hydrochloride;2-Propanone,amino-,hydrochloride;Aminoacetone hydrochloride;2-Oxopropylammonium chloride;1-Amino-2-propanone hydrochloride;1-Aminopropan-2-one hydrochloride salt;1-Aminoacetone Hydrochloride
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CAS No:
2-Propanone, 1-amino-, hydrochloride Basic Attributes
109.55472
109.029442
231-798-0
159195
DTXSID80228088
2922399090
Characteristics
43.1
1.03640
0.926g/cm3
73-74 °C
120.6ºC at 760mmHg
26.8ºC
Hygroscopic, -20°C Freezer, Under Inert Atmosphere
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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+P312, P304+P340, P305+P351+P338, P312, P321, P330, 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.
2-Propanone, 1-amino-, hydrochloride Use and Manufacturing
A solution of 1-benzyloxycarbonylamino-2-propanone (3) (8.6 g, 42 mmol) in ethanol (50 mL) and 1 N hydrochloric acid solution (46 mL) were stirred under hydrogen gas (1 atm) in the presence of Pd/C (1.5 g, 10percent) at room temperature for 4 h. The mixture was filtered, and the filtrate solution was concentrated. The residue was triturated with EtPart C Into a 3L three-neck flask, compound 1 (236 g) was poured, 800 mL of concentrated hydrochloric acid and 800 mL of water.After heating to 112°C and refluxing overnight, the pump was depressurized to remove most of the hydrochloric acid.The resulting viscous product was hot-melted with 300 mL of isopropanol, filtered, and crystallized by cooling to give Compound 2 as a light yellow solid.93 g; yield 43percent.To (2-oxo-propyl)-carbamic acid tert-butyl ester (6.99 mg, 40.4 mmol) was added 4 N HCl in dioxane (120 mL).
Computed Properties
Molecular Weight:109.55
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:109.0294416
Monoisotopic Mass:109.0294416
Topological Polar Surface Area:43.1
Heavy Atom Count:6
Complexity:42.2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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2-Propanone, 1-amino-, hydrochloride
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