D-Histidine hydrochloride

C6H10ClN3O2CAS 6341-24-8191.62 g/mol

Open in Covalent MOL file
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
Stereocentres
Rin SMILES atom order

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
6341-24-8
SMILES
Cl.N[C@H](Cc1cnc[nH]1)C(=O)O
InChIKey
QZNNVYOVQUKYSC-NUBCRITNSA-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-;/m1./s1

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

Names and synonyms

5 names
  • D-Histidine, hydrochloride (1:1)
  • D-Histidine, monohydrochloride
  • NSC 46706
  • (R)-2-Amino-3-(1H-imidazol-4-yl)propanoic acid hydrochloride
  • Histidine monohydrochloride, D-

Work with D-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, enantiomer Dl-histidine monohydrochloride monohydrate123333-71-1Hydrate, stereo not defined Histidine71-00-1Free base, enantiomer DL-Histidine4998-57-6Free base, stereo not defined D-Histidine351-50-8Free base L-Histidine monohydrochloride645-35-2Enantiomer L-Histidine hydrochloride (1:?)1007-42-7Enantiomer DL-Histidine hydrochloride6459-59-2Stereo not defined

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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