A1JEG
Summary
| Name: | (2~{S},3~{R},4~{R})-4-azanyl-2-(diethylaminomethyl)oxolan-3-ol |
| Formula: | C9 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{R})-4-azanyl-2-(diethylaminomethyl)oxolan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H20N2O2/c1-3-11(4-2)5-8-9(12)7(10)6-13-8/h7-9,12H,3-6,10H2,1-2H3/t7-,8+,9-/m1/s1 |
| InChIKey | InChI | 1.06 | DDCDODLZUKEOBE-HRDYMLBCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)C[C@@H]1OC[C@H](N)[C@H]1O |
| SMILES | CACTVS | 3.385 | CCN(CC)C[CH]1OC[CH](N)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)C[C@H]1[C@@H]([C@@H](CO1)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)CC1C(C(CO1)N)O |
