N,N'-Bis(2-chlorophenethyl)-1,4-cyclohexanediamine diacetate

CAS 4981-10-6 MFCD04981106

化学结构图

4981-10-6
SMILES: CC(=O)O.CC(=O)O.Clc1ccccc1CCNC1CCC(NCCc2ccccc2Cl)CC1

化学属性

Mol. Weight511.54
Mol. FormulaC22H28Cl2N2.2C2H4O2

别名和识别编码

Wiswesser Line NotationL6TJ AM2R BG& DM2R BG &QV1 2
Chemical Name1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate
Synonym N,N'-Bis(2-chlorophenethyl)-1,4-cyclohexanediamine diacetate Phenethylamine, N,N'-(1,4-cyclohexylene)bis(2-chloro-, diacetate
CAS Number4981-10-6
InChIKeyKJTKQMGARPGBEV-UHFFFAOYSA-N
PubChem Substance ID78677
InChIInChI=1S/C22H28Cl2N2.2C2H4O2/c23-21-7-3-1-5-17(21)13-15-25-19-9-11-20(12-10-19)26-16-14-18-6-2-4-8-22(18)24;2*1-2(3)4/h1-8,19-20,25-26H,9-16H2;2*1H3,(H,3,4)
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安全信息

RTECSGU8765000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 249 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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