D(+)-Histidinol dihydrochloride

C₆H₁₃Cl₂N₃OCAS 75614-84-5214.09 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
logP: 0.12Crippen estimate
Polar surface area: 74.9 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

75614-84-5

SMILES

C1=C(NC=N1)C[C@H](CO)N.Cl.Cl

InChIKey

FRCAFNBBXRWXQA-ZJIMSODOSA-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-;;/m1../s1

Weigh it out

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

Names and synonyms

1 names

(R)-2-Amino-3-(1H-imidazol-4-yl)propan-1-ol dihydrochloride

Work with D(+)-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

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.

L-Histidinol dihydrochloride1596-64-1Enantiomer

Similar compounds

H-His-NH2.2HCl71666-95-059 % similar L-Histidine hydrochloride (1:?)1007-42-755 % similar D-Histidine hydrochloride6341-24-855 % similar L-Histidine monohydrochloride645-35-255 % similar DL-Histidine hydrochloride6459-59-255 % similar 4-(Hydroxymethyl)imidazole hydrochloride32673-41-954 % similar Dl-histidine monohydrochloride monohydrate123333-71-151 % similar Histidine monohydrochloride monohydrate5934-29-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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