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76631-46-4

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76631-46-4 Structure

76631-46-4 Structure
IdentificationBack Directory
[Name]

4-(2,3-DIMETHYL-BENZYL)-1H-IMIDAZOLE
[CAS]

76631-46-4
[Synonyms]

detomidine
Detomidina
Detomidinum
Detomidine [inn:ban]
Detomidinum [inn-latin]
Detomidina [inn-spanish]
4-(2,3-Dimethylbenzyl)imidazol
90038-01-0 (Monohydrochloride)
4-(2,3-DIMETHYL-BENZYL)-1H-IMIDAZOLE
5-[(2,3-DiMethylphenyl)Methyl]iMidazole
5-[(2,3-dimethylphenyl)methyl]-1H-imidazole
1H-Imidazole, 5-[(2,3-dimethylphenyl)methyl]-
1H-Imidazole, 4-((2,3-dimethylphenyl)methyl)-
[EINECS(EC#)]

202-303-5
[Molecular Formula]

C12H14N2
[MDL Number]

MFCD00864351
[MOL File]

76631-46-4.mol
[Molecular Weight]

186.25
Chemical PropertiesBack Directory
[Melting point ]

114-116°
[Boiling point ]

386.5±11.0 °C(Predicted)
[density ]

1.077±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.44±0.10(Predicted)
[color ]

White to Off-White
[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)
[InChIKey]

RHDJRPPFURBGLQ-UHFFFAOYSA-N
[SMILES]

C1NC(CC2=CC=CC(C)=C2C)=CN=1
Hazard InformationBack Directory
[Uses]

Analgesic (veterinary); sedative-hypnotic.
[storage]

Store at -20°C
Safety DataBack Directory
[Toxicity]

LD50 i.v. in mice: 35 mg/kg (Karjalayne, Kurkela)
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