3-(Dimethylamino)-1-phenyl-2-propen-1-one 3-(二甲氨基)-1-苯基-2-丙烯-1-酮

CAS 1201-93-0 MFCD00121193

化学结构图

1201-93-0
SMILES: CN(C)C=CC(=O)c1ccccc1

化学属性

Mol. FormulaC11H13NO
Mol. Weight175.23
Melting Point91-93 °C
Boiling Point260.0±32.0 °C at 760 mmHg

别名和识别编码

Chemical Name3-(Dimethylamino)-1-phenyl-2-propen-1-one
CAS Number1201-93-0
Alfabeta NameDIMETHYLAMINOPHENYLPROPENONE 3121()-------
MDL NumberMFCD00121193
Synonym 3-(Dimethylamino)-1-phenyl-2-propen-1-one {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {} {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {} {} {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {} {} {} {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {} {} {} {} {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {} {} {} {} {} {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Dimethylamino)-1-phenyl-2-propen-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Dimethylami
Chemical Name Translation3-(二甲氨基)-1-苯基-2-丙烯-1-酮
Canonical SMILESO=C(C1=CC=CC=C1)/C=C/N(C)C
PubChem Substance ID5398495
InChIInChI=1S/C11H13NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {KO} Misc

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.
  • 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

安全信息

Warnings IRRITANT
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P312
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

药物吸收、分布、代谢与排泄(ADME)

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

系列性分类

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