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| CAS No.: | 145108-58-3 |
|---|---|
| Name: | 4-((S)-alpha,2,3-Trimethylbenzyl)imidazole monohydrochloride |
| Molecular Structure: | |
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| Formula: | C13H16N2.HCl |
| Molecular Weight: | 236.744 |
| Synonyms: | 1H-Imidazole,4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-, monohydrochloride (9CI);Dex;Dexdomitor;Dexmetomidine;Precedex;4-((S)-alpha,2,3-Trimethylbenzyl)imidazole monohydrochloride;Dexmedetomidine HCL; |
| EINECS: | 682-047-2 |
| Density: | 1.17 g/cm3 |
| Melting Point: | 153 - 158oC |
| Boiling Point: | 381.9 ºC at 760 mmHg |
| Flash Point: | 191.3 ºC |
| Appearance: | White or almost white crystalline powder |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 28.68000 |
| LogP: | 3.98030 |
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Chemistry
IUPAC Name:5-[(1R)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole hydrochloride
Synonyms of 1H-Imidazole,5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-, hydrochloride (1:1) (CAS NO.145108-58-3): 5-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride ; 4-((S)-alpha,2,3-trimethylbenzyl)imidazole monohydrochloride ; Dexmedetomidine HCl ; Dexmedetomidine hydrochloride ; Precedex
CAS NO: 145108-58-3
Molecular Formula: C13H16N2.HCl
Molecular Weight: 236.74
Molecular Structure: 
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 17.82 Å2
Flash Point: 191.3 °C
Enthalpy of Vaporization: 60.55 kJ/mol
Boiling Point: 381.9 °C at 760 mmHg
Vapour Pressure: 1.08E-05 mmHg at 25 °C
SMILES: Cl.n1cc(nc1)[C@H](c2c(c(ccc2)C)C)C
InChI: InChI=1/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-;/m0./s1
InChIKey: VPNGEIHDPSLNMU-MERQFXBCBQ
Std. 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-;/m0./s1
Std. InChIKey: VPNGEIHDPSLNMU-MERQFXBCSA-N