X54
Summary
| Name: | 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol |
| Formula: | C9 H23 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 205.298 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(3-azanylpropylamino)butylamino]ethane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCNCCCCNC(C)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H23N3O2/c1-9(13,14)12-8-3-2-6-11-7-4-5-10/h11-14H,2-8,10H2,1H3 |
| InChIKey | InChI | 1.03 | WAYWJVQKELFVTE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(O)(O)NCCCCNCCCN |
| SMILES | CACTVS | 3.385 | CC(O)(O)NCCCCNCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(NCCCCNCCCN)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(NCCCCNCCCN)(O)O |
