1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea
Compound with spectra: 24 NMR, and 1 FTIR
| SpectraBase Compound ID | 2JdBwk1hTxS |
|---|---|
| InChI | InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14) |
| InChIKey | GQYIWUVLTXOXAJ-UHFFFAOYSA-N |
| Mol Weight | 233.7 g/mol |
| Molecular Formula | C9H16ClN3O2 |
| Exact Mass | 233.093104 g/mol |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | Pyridine-D5 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | Pyridine-D5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | PYRIDINE-D5 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 298026 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 298026 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CHCl3;C=1M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CHCl3;C=0.01M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | TFE;C=0.01M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DIOXANE;C=0.01M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DIOXANE:H2O;C=0.01M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO;C=1M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO;C=0.01M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO:H2O;C=0.01M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | K. Yoshida, Saitama Medical School, Saitama, Japan |
| Technique | KBr WAFER |
- UREA, 1-/2-CHLOROETHYL/-3-CYCLO- HEXYL-1-NITROSO-,
- 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea-1,2,3-(15)N
- 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea-(15)N1,(15)N
3-cyclohexyl-1-(2-fluoroethyl)-1-nitrosourea
N3-Cyclohexyl-N1-(2-hydroxyethyl)-N1-nitrosothiourea
N3-Cyclohexyl-N1-N-propyl-N1-nitrosothiourea
N-cyclohexyl-4-thiomorpholinecarboxamide
N-cyclohexyl-4-morpholinecarboxamide
N-cyclohexyl-N'-(4-methylbenzyl)urea
1-cyclohexyl-3-phenylurea
N-cyclohexylthio-4-morpholinecarboxamide
1-cyclooctyl-3-phenylurea
trans-4-{[(dimethylaminocarbonyl]amino}cyclohexyl)acetic acid
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis of specifically nitrogen-15- and carbon-13-labeled antitumor (2-haloethyl)nitrosoureas. The study of their conformations in solution by nitrogen-15 and carbon-13 nuclear magnetic resonance electronic control in their aqueous decomposition | The Journal of Organic Chemistry | 1981 |
| Conformations of the antitumor agent 1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-urea in solution studied by 15N-NMR | Tetrahedron Letters | 1981 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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KnowItAll IR, Raman, and UV-Vis Spectral Libraries
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KnowItAll Mass Spectral Library
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