NBA
Summary
| Name: | 3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-1,1-DIOL |
| Formula: | C10 H25 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 219.324 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol |
| OpenEye OEToolkits | 1.5.0 | 3-[3-(3-methylaminopropylamino)propylamino]propane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(O)CCNCCCNCCCNC |
| SMILES_CANONICAL | CACTVS | 3.341 | CNCCCNCCCNCCC(O)O |
| SMILES | CACTVS | 3.341 | CNCCCNCCCNCCC(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNCCCNCCCNCCC(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNCCCNCCCNCCC(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H25N3O2/c1-11-5-2-6-12-7-3-8-13-9-4-10(14)15/h10-15H,2-9H2,1H3 |
| InChIKey | InChI | 1.03 | PTLIEDFKZYQZEI-UHFFFAOYSA-N |
