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L-Histidine:HCl:H2O (<5% D) (13C6; 15N3)

Catalog Number ACM202468437
CAS 202468-43-7
Synonyms L-Histidine-13C6,15N3 hydrochloride monohydrate
IUPAC Name (2S)-2-(15N)azanyl-3-((2,4,5-13C3,1,3-15N2)1H-imidazol-5-yl)(1,2,3-13C3)propanoic acid;hydrate;hydrochloride
Molecular Weight 218.57
Molecular Formula 13C6H1215N3O3Cl
Canonical SMILES [13CH]1=[13C]([15NH][13CH]=[15N]1)[13CH2][13C@@H]([13C](=O)O)[15NH2].O.Cl
InChI InChI=1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m0../s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1;;
InChI Key CMXXUDSWGMGYLZ-IGAOFGNQSA-N
Melting Point 254 °C (489 °F) (dec.)
Purity 98%
Appearance White crystalline solid
Isotopic Enrichment 97-99 atom % 13C; 97-99 atom % 15N
pH 3-4 at 105 g/L at 25 °C (77 °F)
Unlabeled CAS 5934-29-2
Unlabeled Synonyms L-alpha-Amino-beta-(4-imidazolyl)propionic acidmonohydrochloride
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