chempirical

Detomidine

C12H14N2CAS 76631-46-4186.26 g/mol

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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

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)

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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

Similar compounds

Detomidine hydrochloride90038-01-091 % similar Medetomidine106807-72-147 % similar Dexmedetomidine113775-47-647 % similar Medetomidine86347-14-047 % similar 2,3-Dimethylbenzenemethanol13651-14-445 % similar Dexmedetomidine hydrochloride145108-58-344 % similar Medetomidine hydrochloride86347-15-144 % similar 1H-Imidazole-5-methanol822-55-937 % similar

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

Same formula

1-Benzylpyrrolidine-3-carbonitrile10603-52-8 2-(1-Piperidinyl)benzonitrile72752-52-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook