X51
Summary
| Name: | 1-[(4-aminobutyl)amino]ethane-1,1-diol |
| Formula: | C6 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 148.203 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(4-aminobutyl)amino]ethane-1,1-diol |
| OpenEye OEToolkits | 2.0.7 | 1-(4-azanylbutylamino)ethane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(O)(NCCCCN)O |
| InChI | InChI | 1.03 | InChI=1S/C6H16N2O2/c1-6(9,10)8-5-3-2-4-7/h8-10H,2-5,7H2,1H3 |
| InChIKey | InChI | 1.03 | SEXXKOJZDMIAOI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(O)(O)NCCCCN |
| SMILES | CACTVS | 3.385 | CC(O)(O)NCCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(NCCCCN)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(NCCCCN)(O)O |
