Detomidine

C12H14N2CAS 76631-46-4186.26 g/mol

Open in Covalent MOL file
NNH

Properties

Molecular formula
C12H14N2
Molar mass
186.26 g/mol
Exact mass
186.1157 Da
Melting point
114–116 °C
logP
2.62Crippen 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
76631-46-4
SMILES
Cc1cccc(Cc2cnc[nH]2)c1C
InChIKey
RHDJRPPFURBGLQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,13,14)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Imidazole, 5-[(2,3-dimethylphenyl)methyl]-
  • 1H-Imidazole, 4-[(2,3-dimethylphenyl)methyl]-
  • 5-[(2,3-Dimethylphenyl)methyl]-1H-imidazole
  • MPV 252AII

Work with Detomidine

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.

Detomidine hydrochloride90038-01-0Salt

Similar compounds

Medetomidine106807-72-147 % similar Dexmedetomidine113775-47-647 % similar Medetomidine86347-14-047 % similar 2,3-Dimethylbenzenemethanol13651-14-445 % similar 2,3-Dimethylbenzylamine51586-20-045 % similar Dexmedetomidine hydrochloride145108-58-344 % similar 4-[(1R)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole monohydrochloride190000-46-544 % similar Medetomidine hydrochloride86347-15-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzylpyrrolidine-3-carbonitrile10603-52-8 2-Piperidin-1-yl-benzonitrile72752-52-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook