3-Pyrrolidinol, 2-methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride
CAS 1841-33-4 MFCD01841334
化学结构图
SMILES: CC1NCCC1(O)c1cccc(C(F)(F)F)c1.Cl
化学属性
| Mol. Weight | 281.73 |
|---|---|
| Mol. Formula | C12H14F3NO.ClH |
别名和识别编码
| Wiswesser Line Notation | T5MTJ B1 CQ CR CXFFF &GH |
|---|---|
| Chemical Name | 3-Pyrrolidinol, 2-methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride |
| Synonym | 2-Methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-pyrrolidinol |
| CAS Number | 1841-33-4 |
| InChIKey | NSKZKVHNDDDAGW-UHFFFAOYSA-N |
| PubChem Substance ID | 120919 |
| InChI | InChI=1S/C12H14F3NO.ClH/c1-8-11(17,5-6-16-8)9-3-2-4-10(7-9)12(13,14)15;/h2-4,7-8,16-17H,5-6H2,1H3;1H |
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安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 102 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,60,1964
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