DL-Histidine hydrochloride

C6H10ClN3O2CAS 6459-59-2191.62 g/mol

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HClH2NNHNOOH
Carboxylic acidPrimary amine

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
6459-59-2
SMILES
Cl.NC(Cc1cnc[nH]1)C(=O)O
InChIKey
QZNNVYOVQUKYSC-UHFFFAOYSA-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

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Names and synonyms

6 names
  • Histidine, hydrochloride (1:1)
  • Histidine, monohydrochloride, DL-
  • DL-Histidine, monohydrochloride
  • Histidine, monohydrochloride
  • NSC 206275
  • 2-Amino-3-(1H-imidazol-5-yl)propanoic acid hydrochloride

Work with DL-Histidine hydrochloride

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.

Histidine monohydrochloride monohydrate5934-29-2Hydrate, defined stereoisomer Dl-histidine monohydrochloride monohydrate123333-71-1Hydrate Histidine71-00-1Free base, defined stereoisomer DL-Histidine4998-57-6Free base D-Histidine351-50-8Free base, defined stereoisomer L-Histidine monohydrochloride645-35-2Defined stereoisomer D-Histidine hydrochloride6341-24-8Defined stereoisomer L-Histidine hydrochloride (1:?)1007-42-7Defined stereoisomer

Similar compounds

H-His-NH2.2HCl71666-95-066 % 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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