4SW
Summary
| Name: | (2~{S})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine |
| Formula: | C9 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 191.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H21NO3/c1-8(10)6-13-9(2)7-12-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | JKCPHDAMWZLSSR-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCOC[C@@H](C)OC[C@H](C)N |
| SMILES | CACTVS | 3.385 | COCCOC[CH](C)OC[CH](C)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CO[C@H](C)COCCOC)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(COC(C)COCCOC)N |
