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| CAS No.: | 123941-49-1 |
|---|---|
| Name: | xylazole |
| Molecular Structure: | |
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| Formula: | C11H13ClN2S |
| Molecular Weight: | 240.757 |
| Synonyms: | 2-Thiazolamine,N-(2,6-dimethylphenyl)-, monohydrochloride (9CI);Xylazole; |
| Boiling Point: | 313.7 °C at 760 mmHg |
| Flash Point: | 143.5 °C |
| PSA: | 53.16000 |
| LogP: | 4.37850 |
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Specification
The 2-Thiazolamine,N-(2,6-dimethylphenyl)-, hydrochloride (1:1) is an organic compound with the formula C11H13ClN2S. The IUPAC name of this chemical is N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine hydrochloride. With the CAS registry number 123941-49-1, it is also named as Xylazole.
Physical properties about 2-Thiazolamine,N-(2,6-dimethylphenyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 3.25; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 44.37 Å2; (6)Flash Point: 143.5 °C; (7)Enthalpy of Vaporization: 55.48 kJ/mol; (8)Boiling Point: 313.7 °C at 760 mmHg; (9)Vapour Pressure: 0.000487 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.n1ccsc1Nc2c(cccc2C)C
(2)InChI: InChI=1/C11H12N2S.ClH/c1-8-4-3-5-9(2)10(8)13-11-12-6-7-14-11;/h3-7H,1-2H3,(H,12,13);1H
(3)InChIKey: HCHSCHUMEPRVGC-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H12N2S.ClH/c1-8-4-3-5-9(2)10(8)13-11-12-6-7-14-11;/h3-7H,1-2H3,(H,12,13);1H
(5)Std. InChIKey: HCHSCHUMEPRVGC-UHFFFAOYSA-N