5-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile

CAS 6450-83-5 MFCD06450835

化学结构图

6450-83-5
SMILES: CC(C)C(C#N)(CCCN(C)C)c1ccccc1

化学属性

Mol. Weight244.42
Mol. FormulaC16H24N2

别名和识别编码

Wiswesser Line Notation1Y1&XR&CN&3N1&1
Chemical NameValeronitrile, 5-(dimethylamino)-2-isopropyl-2-phenyl-
Synonym alpha-Isopropyl-alpha-(3-dimethylaminopropyl)phenylacetonitrile 5-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile
Beilstein Registry Number2809317
CAS Number6450-83-5
InChIKeyINCZXTDTLFGHGG-UHFFFAOYSA-N
PubChem Substance ID201638
InChIInChI=1S/C16H24N2/c1-14(2)16(13-17,11-8-12-18(3)4)15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-12H2,1-4H3
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安全信息

RTECSYV8520010 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 285 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: 9,786,1966

系列性分类

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