β-Alanine, ethyl ester, hydrochloride
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β-Alanine, ethyl ester, hydrochloride
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CAS No:
4244-84-2
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Formula:
C5H11NO2.ClH
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Chemical Name:
β-Alanine, ethyl ester, hydrochloride
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Synonyms:
β-Alanine,ethyl ester,hydrochloride (1:1);β-Alanine,ethyl ester,hydrochloride;3-Aminopropionic acid ethyl ester hydrochloride;Ethyl 3-aminopropionate hydrochloride;Ethyl β-alaninate hydrochloride;Ethyl 3-aminopropanoate hydrochloride;3-Aminopropanoic acid ethyl ester hydrochloride;CarnoSyn;Ethyl β-alaninoate hydrochloride;Ethyl 3-aminopropanoate hydrochloride salt;3-Ethoxy-3-oxopropan-1-aminium chloride;69808-64-6;1085928-45-5
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CAS No:
β-Alanine, ethyl ester, hydrochloride Basic Attributes
153.61
153.055649
3559095
224-203-0
119551
DTXSID60195224
29224995
Characteristics
52.3
1.40060
White to off-white Crystalline Powder
65.5 °C
167.8°C at 760 mmHg
H2O: almost transparency
Store at RT.
Safety Information
HYGROSCOPIC
NONH for all modes of transport
3
36/37/38
36/37/39-26-22-36-24/25
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
β-Alanine, ethyl ester, hydrochloride Use and Manufacturing
Freshly distilled thionyl chloride (250 mL) was added drop-wise to stirring absolute EtOH (400 mL) at –10 ºC. After 20 min at –10 ºC, β-alanine (82.56 g, 0.93 mol) was slowly added to the thionyl chloride/EtOH solution. This mixture was refluxed for 2 h. Excess thionyl chloride was distilled off and the volume of the solution was reduced by half under vacuum. The white precipitate that crystallized from the reduced solution was filtered and washed with cold diethylether to give β-alanine ethyl ester hydrochloride as a white crystalline powder (124.34 g, 87percent).
Computed Properties
Molecular Weight:153.61
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:153.0556563
Monoisotopic Mass:153.0556563
Topological Polar Surface Area:52.3
Heavy Atom Count:9
Complexity:72.8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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β-Alanine, ethyl ester, hydrochloride
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