4,4-Dimethyl-5-(dimethylamino)-1-(3-methylcyclohexyl)-1-pentanone

CAS 3853-21-2 MFCD N/A

化学结构图

3853-21-2
SMILES: CC1CCCC(C(=O)CCC(C)(C)CN(C)C)C1

化学属性

Mol. Weight253.48
Mol. FormulaC16H31NO

别名和识别编码

Chemical Name1-Pentanone, 4,4-dimethyl-5-(dimethylamino)-1-(3-methylcyclohexyl)-
Chemicalbook IDCB42264628
Wiswesser Line NotationL6TJ AV2X1&1&1N1&1 C1
Synonym 4,4-Dimethyl-5-(dimethylamino)-1-(3-methylcyclohexyl)-1-pentanone
Beilstein Registry Number2723844
CAS Number3853-21-2
InChIKeyFKMOUOGGXWFBEP-UHFFFAOYSA-N
PubChem Substance ID199229
InChIInChI=1S/C16H31NO/c1-13-7-6-8-14(11-13)15(18)9-10-16(2,3)12-17(4)5/h13-14H,6-12H2,1-5H3
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安全信息

RTECSSA8600000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2025 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: 9,187,1966

系列性分类

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