4-(5-Nitropyridin-2-yl)morpholine 4-(5-硝基吡啶-2-基)吗啉

CAS 26820-62-2 MFCD00023308

化学结构图

26820-62-2
SMILES: [O-][N+](=O)C1=CN=C(C=C1)N1CCOCC1

化学属性

Mol. FormulaC9H11N3O3
Mol. Weight209
Melting Point112-114°

别名和识别编码

Chemical Name4-(5-Nitropyridin-2-yl)morpholine
CAS Number26820-62-2
Alfabeta NameNITROPYRIDINYLMORPHOLINE 452()----
MDL NumberMFCD00023308
Synonym 2-Morpholino-5-nitropyridine 4-(5-Nitro-2-pyridyl)morpholine 4-(5-Nitro-pyridin-2-yl)-morpholine Morpholine, 4-(5-nitro-2-pyridinyl)- Morpholine, 4-(5-nitro-2-pyridyl)-
Chemical Name Translation4-(5-硝基吡啶-2-基)吗啉
Wiswesser Line NotationT6N DOTJ A- BT6NJ ENW
Beilstein Registry Number0225480
InChIKeyFYJXIPHXFGFEGT-UHFFFAOYSA-N
LabNetwork Molecule IDLN00149385
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; aromatic; alicycle; 6RingOnly; 6ring; ether; 1fragment
  • {KO} Nitros

相关文献及参考

  • Short: III/35C2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 2: Heterocycles Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C2 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41057-0 ISBN: 978-3-540-41057-7 Internet Resource: DOI:10.1007/b89252 RefComment: VIII, 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

Warnings IRRITANT
RTECSQE7450000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 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#03678

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 33 ug/plate
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   19(Suppl 21),2,1992

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
1
H-bond Donors
0
LogP
1

系列性分类


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