SPE
Summary
| Name: | THERMINE |
| Formula: | C9 H24 N4 |
| Formal charge: | 0 |
| Formula weight: | 188.314 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N,N'-bis(3-aminopropyl)propane-1,3-diamine |
| OpenEye OEToolkits | 1.5.0 | N-[3-(3-aminopropylamino)propyl]propane-1,3-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | NCCCNCCCNCCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCCNCCCNCCCN |
| SMILES | CACTVS | 3.341 | NCCCNCCCNCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CN)CNCCCNCCCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CN)CNCCCNCCCN |
| InChI | InChI | 1.03 | InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2 |
| InChIKey | InChI | 1.03 | ZAXCZCOUDLENMH-UHFFFAOYSA-N |
