YDM
Summary
| Name: | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one |
| Synonyms: | acrylodan, bound form |
| Formula: | C15 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 227.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(=O)c1ccc2cc(ccc2c1)N(C)C |
| InChI | InChI | 1.06 | InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3 |
| InChIKey | InChI | 1.06 | MPPQGYCZBNURDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)c1ccc2cc(ccc2c1)N(C)C |
| SMILES | CACTVS | 3.385 | CCC(=O)c1ccc2cc(ccc2c1)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)c1ccc2cc(ccc2c1)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)c1ccc2cc(ccc2c1)N(C)C |
