N1,N3-Di-p-tolylmalonamide N1,N3-二对甲苯基丙二酰胺

CAS 5469-94-3 MFCD00419232

化学结构图

5469-94-3
SMILES: Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)cc2)cc1

化学属性

Mol. FormulaC17H18N2O2
Mol. Weight282.34

别名和识别编码

Chemical NameN1,N3-Di-p-tolylmalonamide
Synonym N1,N3-di-p-tolylmalonamide {LY} N1,N3-di-p-tolylmalonamide {} {LY} N1,N3-di-p-tolylmalonamide {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {} {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N1,N3-di-p-tolylmalonamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
InChIKeyCIGKFIJIRVGTGE-UHFFFAOYSA-N
CAS Number5469-94-3
Beilstein Registry Number2701022
LabNetwork Molecule IDLN02014457
Chemical Name TranslationN1,N3-二对甲苯基丙二酰胺
PubChem Substance ID95277
InChIInChI=1S/C17H18N2O2/c1-12-3-7-14(8-4-12)18-16(20)11-17(21)19-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
MDL Number
Canonical SMILESCC1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C)C=C2
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; amide; 1fragment

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

RTECSOO4672500 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 6,58,1954

Storage condition

系列性分类

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