VXU
Summary
| Name: | 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine |
| Synonyms: | CC00413 |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanamine |
| OpenEye OEToolkits | 1.7.6 | 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O1c2c(OCCC1)cccc2CN |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c11-7-8-3-1-4-9-10(8)13-6-2-5-12-9/h1,3-4H,2,5-7,11H2 |
| InChIKey | InChI | 1.03 | ZXJOKQNPRXXPJT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCc1cccc2OCCCOc12 |
| SMILES | CACTVS | 3.370 | NCc1cccc2OCCCOc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1)OCCCO2)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1)OCCCO2)CN |
