L-Histidine-[13C6,15N3] hydrochloride monohydrate

General Information
Catalog: BLP-000708
Molecular Formula: [13C]6H9[15N]3O2.HCl.H2O
Molecular Weight: 218.57
Synonyms L-a-Amino-ß-(4-imidazolyl)propionic acid-13C6,15N3; 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
Related CAS 5934-29-2 (unlabelled)
Canonical SMILES C1=C(NC=N1)CC(C(=O)O)N.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 (dec)
Purity 98% (CP); 98% atom 13C; 98% atom 15N

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