GXQ
Summary
| Name: | N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine |
| Formula: | C12 H28 N4 |
| Formal charge: | 0 |
| Formula weight: | 228.378 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}1,~{N}4-bis(3-azanylpropyl)cyclohexane-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H28N4/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h11-12,15-16H,1-10,13-14H2/t11-,12- |
| InChIKey | InChI | 1.03 | PYBOSIQOXDJMFB-HAQNSBGRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCN[C@@H]1CC[C@H](CC1)NCCCN |
| SMILES | CACTVS | 3.385 | NCCCN[CH]1CC[CH](CC1)NCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CC(CCC1NCCCN)NCCCN |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(CCC1NCCCN)NCCCN |
