4-[(1R)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole monohydrochloride

C13H17ClN2CAS 190000-46-5236.74 g/mol

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NHNHCl

Properties

Molecular formula
C13H17ClN2
Molar mass
236.74 g/mol
Exact mass
236.1080 Da
logP
3.60Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
190000-46-5
SMILES
CC1=C(C(=CC=C1)[C@@H](C)C2=CN=CN2)C.Cl
InChIKey
VPNGEIHDPSLNMU-RFVHGSKJSA-N
InChI
InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m1./s1

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Names and synonyms

1 names
  • Levomedetomidine hydrochloride

Work with 4-[(1R)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole monohydrochloride

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.

Dexmedetomidine113775-47-6Free base, enantiomer Medetomidine106807-72-1Free base, stereo not defined Medetomidine86347-14-0Free base, stereo not defined Dexmedetomidine hydrochloride145108-58-3Enantiomer Medetomidine hydrochloride86347-15-1Stereo not defined

Similar compounds

Detomidine hydrochloride90038-01-050 % similar Detomidine76631-46-444 % similar 1-(1-Chloroethyl)-2,3-dimethylbenzene60907-88-241 % similar 2,3-Dimethylphenylhydrazine hydrochloride56737-75-835 % similar 1,2,3-Trimethylbenzene526-73-834 % similar Hydrazine, (2,3-dimethylphenyl)-, hydrochloride, hydrate (1:1:?)123333-92-633 % similar 5-Methylpyrimidin-4-ol17758-52-031 % similar 1-(2,3-Dimethylphenyl)piperazine hydrochloride80836-96-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetrahydrozoline hydrochloride522-48-5

Elsewhere

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