Dl-histidine monohydrochloride monohydrate

C₆H₁₂ClN₃O₃CAS 123333-71-1209.63 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
logP: -1.04Crippen estimate
Polar surface area: 123.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Identifiers

CAS number

123333-71-1

SMILES

C1=C(NC=N1)CC(C(=O)O)N.O.Cl

InChIKey

CMXXUDSWGMGYLZ-UHFFFAOYSA-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

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Names and synonyms

1 names

DL-Histidine, monohydrochloride, monohydrate

Work with Dl-histidine monohydrochloride 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

L-Histidine hydrochloride monohydrate5934-29-2

Elsewhere

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