Nα-Methyl-L-histidine methyl ester hydrochloride
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Nα-Methyl-L-histidine methyl ester hydrochloride

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Category
L-Amino Acids
Catalog number
BAT-004138
CAS number
118384-75-1
Molecular Formula
C8H13N3O2·HCl
Molecular Weight
219.60
Nα-Methyl-L-histidine methyl ester hydrochloride
IUPAC Name
methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate;hydrochloride
Synonyms
N-Me-L-His-OMe HCl; H-Me-His-Ome HCl
Appearance
White powder
Purity
≥ 99% (TLC)
Storage
Store at-20°C
InChI
InChI=1S/C8H13N3O2.ClH/c1-9-7(8(12)13-2)3-6-4-10-5-11-6;/h4-5,7,9H,3H2,1-2H3,(H,10,11);1H/t7-;/m0./s1
InChI Key
WMEMVRNBUHETIW-FJXQXJEOSA-N
Canonical SMILES
CNC(CC1=CN=CN1)C(=O)OC.Cl
1. l-Serine methyl ester hydro-chloride
Arie Schouten, Martin Lutz Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 7;65(Pt 12):o3026. doi: 10.1107/S1600536809046480.
In the enanti-opure crystal of the title compound, C(4)H(10)NO(3) (+)·Cl(-), inter-molecular O-H⋯Cl and N-H⋯Cl hydrogen bonds link the mol-ecules into layers parallel to (001).
2. L-histidine methyl ester dihydrochloride
V H Vilchiz, R E Norman, S C Chang Acta Crystallogr C. 1996 Mar 15;52 ( Pt 3):696-8. doi: 10.1107/s0108270195013308.
The title compound, C7H13N3O2(2+).2Cl-, has distances and angles quite similar to those of histidine hydrochloride monohydrate [Donohue & Caron (1964). Acta Cryst. 17, 1178-1180], except for the distances within the ester functionality.
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