VJI
Summary
| Name: | (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine |
| Formula: | C10 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.23 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCC(N)c1ccc2OCCOc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C10H14N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,6,11-12H2/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | OEFHGMCGKZAGBL-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H](N)c1ccc2OCCOc2c1 |
| SMILES | CACTVS | 3.385 | NC[CH](N)c1ccc2OCCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1[C@H](CN)N)OCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(CN)N)OCCO2 |
