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L-Histidine-[13C6] hydrochloride monohydrate

General Information
Catalog: BLP-000707
CAS: 201740-88-7
Molecular Formula: [13C]6H9N3O2.HCl.H2O
Molecular Weight: 215.59
Chemical Structure
L-Histidine-[13C6] hydrochloride monohydrate
Synonyms L-α-Amino-β-(4-imidazolyl)propionic acid-13C6 hydrochloride monohydrate; L-Histidine-13C6 hydrochloride monohydrate
IUPAC Name (2S)-2-amino-3-((2,4,5-13C3)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;;
InChI Key CMXXUDSWGMGYLZ-NHMLGGAVSA-N
Melting Point 254 °C (dec.)
Purity 98% (CP); 97% atom 13C

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