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DL-Histidine, monohydrochloride

PubChem CID: 14259267

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Compound Synonyms 6459-59-2, DL-HISTIDINE MONOHYDROCHLORIDE, 2-Amino-3-(1H-imidazol-4-yl)propanoic acid hydrochloride, DL-Histidine hydrochloride, 2-amino-3-(1H-imidazol-5-yl)propanoic acid hydrochloride, DL-Histidine, monohydrochloride, DL-Histidine monoHCl, 2-amino-3-(1H-imidazol-5-yl)propanoic acid, hydrochloride, L-(+)-Histidine monohydrochloride, L-Histidine monohydrochloride, Histidine dihydrochloride, NSC27422, dl-histidine hydrochloride monohydrate, histidin hydrochloride, NSC-27422, HISTIDINE,(L), (--)-Histidinmonohydrochlorid, SCHEMBL139654, QZNNVYOVQUKYSC-UHFFFAOYSA-N, DTXSID401014452, L-Histidine, hydrochloride (1:x), (-)-Histidine monohydrochloride, Histidine hydrochloride, Histidine monohydrochloride, L-Histidine hydrochloride, NSC46706, NSC206275, NSC257867, AKOS015847815, AKOS016367771, FD21742, NSC-206275, laevo-histidine hydrochloride monohydrate, AS-49192, DB-054686, DB-054695, CS-0368312, NS00082207, EN300-74227
Topological Polar Surface Area 92.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 12.0
Isotope Atom Count 0.0
Molecular Complexity 151.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-amino-3-(1H-imidazol-5-yl)propanoic acid, hydrochloride
Nih Violation False
Prediction Hob 1.0
Is Pains False
Molecular Formula C6H10ClN3O2
Prediction Swissadme 0.0
Inchi Key QZNNVYOVQUKYSC-UHFFFAOYSA-N
Fcsp3 0.3333333333333333
Rotatable Bond Count 3.0
Compound Name DL-Histidine, monohydrochloride
Prediction Hob Swissadme 0.0
Exact Mass 191.046
Formal Charge 0.0
Brenk Violation False
Monoisotopic Mass 191.046
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 191.61
Covalent Unit Count 2.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol 0.3925350666666667
Inchi InChI=1S/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4, /h2-3,5H,1,7H2,(H,8,9)(H,10,11), 1H
Smiles C1=C(NC=N1)CC(C(=O)O)N.Cl
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Euonymus Grandiflorus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Gossypium Herbaceum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Pseudostellaria Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Solanum Melongena (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Spinacia Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients