1,4-Cyclohexanebis(methylamine), N,N'-bis(3-methylcyclohexyl)-, diacetate, (E)-

CAS 1246-69-1 MFCD N/A

化学结构图

1246-69-1
SMILES: CC(=O)O.CC(=O)O.C[C@H]1CCC[C@H](NCC2CCC(CN[C@H]3CCC[C@H](C)C3)CC2)C1

化学属性

Mol. Weight454.78
Mol. FormulaC22H42N2.2C2H4O2

别名和识别编码

Wiswesser Line NotationL6TJ C1 AM1- AL6TJ D1M- AL6TJ C1 &QV1 2 -E
Chemical Name1,4-Cyclohexanebis(methylamine), N,N'-bis(3-methylcyclohexyl)-, diacetate, (E)-
Synonym trans-N,N'-Bis(3-methylcyclohexyl)-1,4-cyclohexanebis(methylamine)
CAS Number1246-69-1
InChIKeyXNWKPZJCRBUXIU-UHFFFAOYSA-N
PubChem Substance ID102586
InChIInChI=1S/C22H42N2.2C2H4O2/c1-17-5-3-7-21(13-17)23-15-19-9-11-20(12-10-19)16-24-22-8-4-6-18(2)14-22;2*1-2(3)4/h17-24H,3-16H2,1-2H3;2*1H3,(H,3,4)
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安全信息

RTECSGU7079000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 550 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: 9,329,1966

系列性分类

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