MR1
Summary
| Name: | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE |
| Formula: | C8 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 151.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(1,3-benzodioxol-5-yl)methanamine |
| OpenEye OEToolkits | 1.5.0 | 1,3-benzodioxol-5-ylmethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O1c2ccc(cc2OC1)CN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCc1ccc2OCOc2c1 |
| SMILES | CACTVS | 3.341 | NCc1ccc2OCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1CN)OCO2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1CN)OCO2 |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2 |
| InChIKey | InChI | 1.03 | ZILSBZLQGRBMOR-UHFFFAOYSA-N |
