L-Histidine, methyl ester, hydrochloride (1:2)
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L-Histidine, methyl ester, hydrochloride (1:2)
structure -
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CAS No:
7389-87-9
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Formula:
C7H11N3O2.2ClH
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Chemical Name:
L-Histidine, methyl ester, hydrochloride (1:2)
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Synonyms:
L-Histidine,methyl ester,hydrochloride (1:2);Histidine,methyl ester,dihydrochloride,L-;L-Histidine,methyl ester,dihydrochloride;Histidine methyl ester dihydrochloride;(S)-Histidine methyl ester dihydrochloride;Methyl L-histidinate dihydrochloride;NSC 522221;2491-19-2
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CAS No:
L-Histidine, methyl ester, hydrochloride (1:2) Basic Attributes
242.1
241.038483
3572010
230-973-9
522221
2933290090
Characteristics
81
1.75680
White Fine Crystalline Powder
200-201 °C
368.2ºC at 760 mmHg
176.5ºC
10 ° (C=2, H2O)
soluble in dimethyl sulfoxide, methanol and water.
−20°C
9 º (c=2 in H2O)
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
22-24/25
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
L-Histidine, methyl ester, hydrochloride (1:2) Use and Manufacturing
Used in the preparation of optically pure L-(+)-Ergothioneine.
Computed Properties
Molecular Weight:205.64
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:205.0618043
Monoisotopic Mass:205.0618043
Topological Polar Surface Area:81
Heavy Atom Count:13
Complexity:163
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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L-Histidine, methyl ester, hydrochloride (1:2)
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