1-(Indolin-1-yl)ethanone 1-乙酰基吲哚啉
CAS 16078-30-1 MFCD00022908
化学结构图
SMILES: CC(=O)N1CCC2C=CC=CC1=2
化学属性
| Mol. Formula | C10H11NO |
|---|---|
| Mol. Weight | 161.20 |
| Melting Point | 102-104 °C(lit.) |
| TSCA | No |
别名和识别编码
| Chemical Name | 1-(Indolin-1-yl)ethanone |
|---|---|
| Synonym | 1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one 1-(2,3-Dihydro-indol-1-yl)ethanone 1-(2,3-Dihydro-indol-1-yl)-ethanone N-乙酰基吲哚啉 1-Acetylindoline 1-acetyl-2,3-dihydro-indole 1-Acetyl-2,3-dihydro-1H-indole |
| MDL Number | MFCD00022908 |
| CAS Number | 16078-30-1 |
| Beilstein Registry Number | 0129366 |
| PubChem Substance ID | 24863664 |
| Chemical Name Translation | 1-乙酰基吲哚啉 |
| Wiswesser Line Notation | T56 BNT&J BV1 |
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分类
- {SNA} Building Blocks, C10, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
- {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; amide; 1fragment
相关文献及参考
- Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
安全信息
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- S22 Do not breathe dust 不要吸入粉尘；
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 204 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold 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: 20,1448,1977
