Caffeine, 8-(2-(diethylamino)ethoxy)-

CAS 5426-72-2 MFCD N/A

化学结构图

5426-72-2
SMILES: CCN(CC)CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C

化学属性

Mol. FormulaC14H23N5O3
Mol. Weight309.42

别名和识别编码

Chemical NameCaffeine, 8-(2-(diethylamino)ethoxy)-
Chemicalbook IDCB52178748
Synonym 8-(beta-Diethylaminoethoxy)caffeine
Wiswesser Line NotationT56 BN DN FNVNVJ B1 CO2N2&2 F1 H1
CAS Number5426-72-2
Beilstein Registry Number0318614
InChIKeyCJFBPYHVVXKJQQ-UHFFFAOYSA-N
PubChem Substance ID21550
InChIInChI=1S/C14H23N5O3/c1-6-19(7-2)8-9-22-13-15-11-10(16(13)3)12(20)18(5)14(21)17(11)4/h6-9H2,1-5H3
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安全信息

RTECSEV6504000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04353

系列性分类

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