L-Histidine hydrochloride monohydrate

C₆H₁₂ClN₃O₃CAS 5934-29-2209.63 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₂ClN₃O₃
Molar mass: 209.63 g/mol
Exact mass: 209.0567 Da
Melting point: 251–252 °C (decomposes)
logP: -1.04Crippen estimate
Polar surface area: 123.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

5934-29-2

SMILES

Cl.N[C@@H](Cc1cnc[nH]1)C(=O)O.O

InChIKey

CMXXUDSWGMGYLZ-XRIGFGBMSA-N

InChI

InChI=1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m0../s1

Weigh it out

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

Names and synonyms

4 names

L-Histidine, hydrochloride, hydrate (1:1:1)
Histidine, monohydrochloride, monohydrate, L-
L-Histidine, monohydrochloride, monohydrate
L-Histidine monohydrate monohydrochloride

Work with L-Histidine hydrochloride monohydrate

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

Similar compounds

L-Histidine hydrochloride (1:?)1007-42-792 % similar D-Histidine hydrochloride6341-24-892 % similar DL-Histidine hydrochloride6459-59-292 % similar D-Histidine351-50-884 % similar Dl-histidine4998-57-684 % similar Histidine71-00-184 % similar (2S)-2-Amino-3-(1H-imidazol-4-yl)propanamide dihydrochloride71666-95-061 % similar Histidine methyl ester dihydrochloride7389-87-957 % similar

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

Same formula

Dl-histidine monohydrochloride monohydrate123333-71-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook