DL-Histidine hydrochloride

C₆H₁₀ClN₃O₂CAS 6459-59-2191.62 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Halogen Primary 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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

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

Weigh it out

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

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 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 hydrochloride6341-24-8 (-)-Histidine monohydrochloride645-35-2

Elsewhere

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