7-(2-Chloroethyl)theophylline
Compound with spectra: 4 NMR, 2 FTIR, and 2 MS (GC)
| SpectraBase Compound ID | FSlmce9vhK0 |
|---|---|
| InChI | InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3 |
| InChIKey | QCIARNIKNKKHFH-UHFFFAOYSA-N |
| Mol Weight | 242.67 g/mol |
| Molecular Formula | C9H11ClN4O2 |
| Exact Mass | 242.057053 g/mol |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | DMSO-d6 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Technique | KBr WAFER |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 127450 |
| Technique | Mull |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | W5-1989-25259-1 |
- THEOPHYLLINE, 7-/2-CHLOROETHYL/-,
- Benaphyllin
- 1H-purine-2,6-dione, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-
- 7-(Chloroethyl)theophylline
- Eupnophile
- 7-(2-Chloroethyl)-1,3-dimethyl-purine-2,6-dione
- 7-(2-Chloroethyl)-1,3-dimethyl-(1H,3H)-purine-2,6-dione
- 7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
- 7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- .beta.-Chloroethyltheophylline
- 7-(.beta.-Chlorethyl)theophylline
- 7-(.beta.-Chloroethyl)theophylline
- 7-(2-Chloroethyl)-1,3-dimethyl-xanthine
- EINECS 227-553-2
- NSC 337614
- BRN 0251755
1,3-Dimethyl-7-n-propylxanthine
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-propenyl)-
Theobromine ethyl
7-ISOBUTYL-6-THIOXANTHINE
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-7-[2-oxo-2-(1-piperidinyl)ethyl]-
S-(-)-8-{[1-(hydroxymethyl)propyl]amino}theophylline, acetate (ester)
R-(+)-8-{[1-(chloromethyl)propyl]amino}theophylline
7-[2-(4-bromophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Purine-2,6-dione, 8-cyclopentylamino-1,3-dimethyl-3,9-dihydro-
2-[(1',3'-Dimethyl-2',4'-dioxopurin-8'-yl)hydrazono]-2-ethylacetic acid
This compound is available in the following databases:
KnowItAll IR Spectral Library
Author: Wiley
Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.
Sigma-Aldrich Library of FT-IR Spectra
Author: Sigma Aldrich
The Sigma-Aldrich Library of FT-IR Spectra is a comprehensive collection of FT-IR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.