1-(5-Pyrrolidino-2,4-pentadienylidene)pyrrolidinium perchlorate

CAS 2581-81-9 MFCD02581819

化学结构图

2581-81-9
SMILES: C(=CC=[N+]1CCCC1)C=CN1CCCC1.[O-][Cl+3]([O-])([O-])[O-]

化学属性

Mol. Weight304.81
Mol. FormulaC13H21N2.ClO4

别名和识别编码

Wiswesser Line NotationT5NTJ A1U2U2U- AT5KTJ &W-G-W
Chemical NamePyrrolidinium, 1-(5-pyrrolidino-2,4-pentadienylidene)-, perchlorate
Synonym 1-(5-Pyrrolidino-2,4-pentadienylidene)pyrrolidinium perchlorate
CAS Number2581-81-9
InChIKeyIOPYAHCREUTVQD-UHFFFAOYSA-M
PubChem Substance ID6437298
InChIInChI=1S/C13H21N2.ClHO4/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15;2-1(3,4)5/h1-3,8-9H,4-7,10-13H2;(H,2,3,4,5)/q+1;/p-1
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安全信息

RTECSUY4960000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 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: 12,806,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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: 12,806,1969

系列性分类

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