chempirical

(-)-Histidine monohydrochloride

C6H10ClN3O2CAS 645-35-2191.62 g/mol

Open in Covalent MOL file
HClH2NNHNOHO
AlcoholCarboxylic AcidHalogenPrimary Amine

Properties

Molecular formula
C6H10ClN3O2
Molar mass
191.62 g/mol
Exact mass
191.0462 Da
Melting point
243–244 °C
logP
-0.21Crippen estimate
Polar surface area
92.0 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
645-35-2
SMILES
Cl.N[C@@H](Cc1cnc[nH]1)C(=O)O
InChIKey
QZNNVYOVQUKYSC-JEDNCBNOSA-N
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/t5-;/m0./s1

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Names and synonyms

7 names
  • L-Histidine, hydrochloride (1:1)
  • Histidine, monohydrochloride, L-
  • L-Histidine, monohydrochloride
  • Histidine hydrochloride
  • L-Histidine hydrochloride
  • Histidine monohydrochloride
  • NSC 257867

Work with (-)-Histidine monohydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

L-Histidine hydrochloride (1:?)1007-42-7 D-Histidine, hydrochloride (1:1)6341-24-8 Histidine, hydrochloride (1:1)6459-59-2

Elsewhere

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