Nα-Acetyl-L-Histidine hydrate
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Nα-Acetyl-L-Histidine hydrate

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Category
L-Amino Acids
Catalog number
BAT-004085
CAS number
39145-52-3
Molecular Formula
C8H11N3O3·H2O
Molecular Weight
215.21
Nα-Acetyl-L-Histidine hydrate
IUPAC Name
(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoic acid;hydrate
Synonyms
Ac-L-His-OH H2O; N-Acetyl-L-histidine Monohydrate; (S)-2-Acetamido-3-(1H-imidazol-4-yl)propanoic acid hydrate; N-Acetyl-DL-histidine monohydrate; Nalpha-acetyl-DL-histidine hydrate; (2S)-2-(Acetylamino)-3-(1H-imidazol-4-yl)propanoic acid hydrate
Appearance
White to off-white powder
Purity
≥ 91% (Titration)
Melting Point
150-170 °C (dec.)
Boiling Point
620.2 °C at 760 mmHg
Storage
Store at RT
InChI
InChI=1S/C8H11N3O3.H2O/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6;/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14);1H2/t7-;/m0./s1
InChI Key
PSWSDQRXCOJSFC-FJXQXJEOSA-N
Canonical SMILES
CC(=O)NC(CC1=CN=CN1)C(=O)O.O
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