chempirical

Atipamezole

C14H16N2CAS 104054-27-5212.30 g/mol

Open in Covalent MOL file
NNH

Properties

Molecular formula
C14H16N2
Molar mass
212.30 g/mol
Exact mass
212.1313 Da
logP
2.86Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

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

Identifiers

CAS number
104054-27-5
SMILES
CCC1(c2cnc[nH]2)Cc2ccccc2C1
InChIKey
HSWPZIDYAHLZDD-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Imidazole, 5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-
  • 1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-
  • 5-(2-Ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole
  • MPV 1248

Work with Atipamezole

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.

Atipamezole hydrochloride104075-48-1Salt

Similar compounds

4(5)-(Trifluoromethyl)imidazole33468-69-838 % similar Detomidine76631-46-434 % similar 4-Phenylimidazole670-95-133 % similar Detomidine hydrochloride90038-01-032 % similar tert-Amylbenzene2049-95-831 % similar Alpha-methyl-dl-histidine dihydrochloride32381-18-330 % similar

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

Same formula

Tolidine119-93-7 N,N'-Diphenylethylenediamine150-61-8 Rel-(1R,2R)-1,2-Diphenyl-1,2-ethanediamine16635-95-3 (1S,2S)-1,2-Diphenylethane-1,2-diamine29841-69-8 Diphenylethylenediamine35132-20-8 1-(1-Naphthyl)piperazine57536-86-4 4,4′-Ethylenedianiline621-95-4 2,2′-Dimethylbenzidine84-67-3

Elsewhere

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