chempirical

L-Histidine monohydrochloride

C6H10ClN3O2CAS 645-35-2191.62 g/mol

Open in Covalent MOL file
HClH2NNHNOHO
Carboxylic acidPrimary 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
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 143 ECHA notifiers. Aggregated from 143 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

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

Reactions

Work with L-Histidine monohydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Histidine hydrochloride monohydrate5934-29-2Hydrate Dl-histidine monohydrochloride monohydrate123333-71-1Hydrate, stereo not defined Histidine71-00-1Free base DL-Histidine4998-57-6Free base, stereo not defined D-Histidine351-50-8Free base, enantiomer D-Histidine hydrochloride6341-24-8Enantiomer DL-Histidine hydrochloride6459-59-2Stereo not defined L-Histidine hydrochloride (1:?)1007-42-7

Similar compounds

(2S)-2-Amino-3-(1H-imidazol-4-yl)propanamide dihydrochloride71666-95-066 % similar Histidine methyl ester dihydrochloride7389-87-961 % similar Histidylglycine2578-58-755 % similar L-Histidinol dihydrochloride1596-64-155 % similar D(+)-Histidinol dihydrochloride75614-84-555 % similar Imidazoleacetic acid hydrochloride3251-69-254 % similar N-Acetyl-L-histidine2497-02-153 % similar Carnosine305-84-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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