D-Valine, methyl ester, hydrochloride (1:1)
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D-Valine, methyl ester, hydrochloride (1:1)
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CAS No:
7146-15-8
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Formula:
C6H13NO2.ClH
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Chemical Name:
D-Valine, methyl ester, hydrochloride (1:1)
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Synonyms:
D-Valine,methyl ester,hydrochloride (1:1);Valine,methyl ester,hydrochloride,D-;D-Valine,methyl ester,hydrochloride;Methyl D-valinate hydrochloride;(R)-2-Amino-3-methylbutyric acid methyl ester hydrochloride;NSC 22921;(R)-2-Amino-3-methylbutanoic acid methyl ester hydrochloride;Methyl (R)-2-amino-3-methylbutanoate hydrochloride;(R)-Methyl 2-amino-3-methylbutanoate hydrochloride
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CAS No:
D-Valine, methyl ester, hydrochloride (1:1) Basic Attributes
167.63
167.071304
3912091
230-454-7
DTXSID60221673
29241990
Safety Information
NONH for all modes of transport
3
36/37/38
22-24/25-36-26
Xi
P261, P264, P270, P271, P280, P301+P312, P302+P352, 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+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.
D-Valine, methyl ester, hydrochloride (1:1) Use and Manufacturing
General procedure: To a suspension of 5 g of D-amino acid in 100 mLdry methanol at 0–5°, 8–10 mL thionyl chloridewere added dropwise, the mixture was stirred for 2 hand kept at 20–22° for 24 h. The solvent was evaporatedunder vacuum at 30–40°, the residue wasmixed with dry ether, filtered off, dried, and recrystallizedfrom methanol–ether mixture. D-Valine methyl ester hydrochloride. Yield 75percent, mp155–156°. –15 ± 1° ( 1.0, EtOH). Literaturedata [14]: –15.5 ± 2° ( 2.0, 2). IR (, cm–1):1730, 1575.
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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D-Valine, methyl ester, hydrochloride (1:1)
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