L-Histidinol dihydrochloride

C₆H₁₃Cl₂N₃OCAS 1596-64-1214.09 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₆H₁₃Cl₂N₃O
Molar mass: 214.09 g/mol
Exact mass: 213.0436 Da
Melting point: 193–195 °C
logP: 0.12Crippen estimate
Polar surface area: 74.9 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1596-64-1

SMILES

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

InChIKey

FRCAFNBBXRWXQA-XRIGFGBMSA-N

InChI

InChI=1S/C6H11N3O.2ClH/c7-5(3-10)1-6-2-8-4-9-6;;/h2,4-5,10H,1,3,7H2,(H,8,9);2*1H/t5-;;/m0../s1

Weigh it out

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

Names and synonyms

8 names

1H-Imidazole-5-propanol, β-amino-, hydrochloride (1:2), (βS)-
Imidazole-4-propanol, β-amino-, dihydrochloride, L-
1H-Imidazole-4-propanol, β-amino-, dihydrochloride, (S)-
1H-Imidazole-4-propanol, β-amino-, dihydrochloride, (βS)-
L-(-)-Histidinoldihydrochloride
(S)-Histidinol dihydrochloride
(S)-2-Amino-3-(1H-imidazol-4-yl)propan-1-ol dihydrochloride
(2S)-2-Amino-3-(1H-imidazol-4-yl)propan-1-ol dihydrochloride

Work with L-Histidinol dihydrochloride

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

(2S)-2-Amino-3-(1H-imidazol-4-yl)propanamide dihydrochloride71666-95-059 % similar D-Histidine hydrochloride6341-24-855 % similar DL-Histidine hydrochloride6459-59-255 % similar 4-(Hydroxymethyl)imidazole hydrochloride32673-41-954 % similar Dl-histidine monohydrochloride monohydrate123333-71-151 % similar L-Histidine hydrochloride monohydrate5934-29-251 % similar Histidine methyl ester dihydrochloride7389-87-948 % similar D-Histidine351-50-848 % similar

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

Elsewhere

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