96H
Summary
| Name: | Triisopropanolamine |
| Formula: | C9 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 191.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-1-[bis[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | SLINHMUFWFWBMU-CIUDSAMLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)CN(C[C@H](C)O)C[C@H](C)O |
| SMILES | CACTVS | 3.385 | C[CH](O)CN(C[CH](C)O)C[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CN(C[C@H](C)O)C[C@H](C)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CN(CC(C)O)CC(C)O)O |
