962
Summary
| Name: | (2~{S})-1-[2-hydroxyethyl-[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol |
| Formula: | C8 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 177.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-1-[2-hydroxyethyl-[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H19NO3/c1-7(11)5-9(3-4-10)6-8(2)12/h7-8,10-12H,3-6H2,1-2H3/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | HHKUQCFQGCCLGA-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)CN(CCO)C[C@H](C)O |
| SMILES | CACTVS | 3.385 | C[CH](O)CN(CCO)C[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CN(CCO)C[C@H](C)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CN(CCO)CC(C)O)O |
