N-Methyl-N-(4-Nitrophenyl)Acetamide 尼达尼布杂质109

CAS 121-95-9 MFCD00035947

化学结构图

121-95-9
SMILES: CC(=O)N(C)c1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC9H10N2O3
Mol. Weight194.19
Melting Point153-154°

别名和识别编码

Chemical NameN-Methyl-N-(4-Nitrophenyl)Acetamide
CAS Number121-95-9
Alfabeta NameMETHYLNITROPHENYLACETAMIDE NN4()----
MDL NumberMFCD00035947
Synonym N-Methyl-N-(4-nitro-phenyl)-acetamide N-Methyl-N-(4-nitro-phenyl)-acetamide N-methyl-N-(4-nitrophenyl)acetamide Acetamide, N-methyl-N-(4-nitrophenyl)-
Chemical Name Translation尼达尼布杂质109
InChIKeyDKZFYTVXALXRSH-UHFFFAOYSA-N
LabNetwork Molecule IDLN00147397
PubChem Substance ID67143
InChIInChI=1S/C9H10N2O3/c1-7(12)10(2)8-3-5-9(6-4-8)11(13)14/h3-6H,1-2H3
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分类

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

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 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), carbon-13 (subvol. D), and oxygen-17 (subvol. E) 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.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
1
H-bond Donors
0
LogP
1

系列性分类

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