3W9
Summary
| Name: | 4-(diethylamino)benzaldehyde |
| Formula: | C11 H15 N O |
| Formal charge: | 0 |
| Formula weight: | 177.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(diethylamino)benzaldehyde |
| OpenEye OEToolkits | 1.9.2 | 4-(diethylamino)benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc1ccc(N(CC)CC)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | MNFZZNNFORDXSV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)c1ccc(C=O)cc1 |
| SMILES | CACTVS | 3.385 | CCN(CC)c1ccc(C=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN(CC)c1ccc(cc1)C=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCN(CC)c1ccc(cc1)C=O |
