L-Valine, methyl ester, hydrochloride (1:1)
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L-Valine, methyl ester, hydrochloride (1:1)
structure -
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CAS No:
6306-52-1
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Formula:
C6H13NO2.ClH
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Chemical Name:
L-Valine, methyl ester, hydrochloride (1:1)
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Synonyms:
L-Valine,methyl ester,hydrochloride (1:1);L-Valine,methyl ester,hydrochloride;Valine,methyl ester,hydrochloride,L-;Methyl L-valinate hydrochloride;Valine methyl ester hydrochloride;NSC 197198;NSC 22920;Methyl (S)-2-amino-3-methylbutanoate hydrochloride;Methyl (S)-valinate hydrochloride;Methyl valinate hydrochloride;(S)-Valine methyl ester hydrochloride;Methyl L-valine hydrochloride;189231-40-1
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CAS No:
L-Valine, methyl ester, hydrochloride (1:1) Basic Attributes
167.63
167.071304
3594960
228-620-9
DTXSID60212389
29224995
Characteristics
52.3
1.64500
White Crystalline Powder
146-149 °C
145.7ºC at 760 mmHg
20.7ºC
15.5 ° (C=2, H2O)
Store at RT.
15.5 º (C=2,H2O 24 ºC)
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
22-24/25-36-26
Xi
Stable. Incompatible with strong oxidizing agents.
|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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
L-Valine, methyl ester, hydrochloride (1:1) Use and Manufacturing
L-Valine Methyl Ester Hydrochloride is used in the synthesis of Valaciclovir (V085000), the L-Valine ester prodrug of Acyclovir (A192400), orally active acyclic nucleoside with inhibitory activity towards several herpes viruses. Antiviral.
Computed Properties
Molecular Weight:167.63
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:167.0713064
Monoisotopic Mass:167.0713064
Topological Polar Surface Area:52.3
Heavy Atom Count:10
Complexity:101
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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L-Valine, methyl ester, hydrochloride (1:1)
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