XQY
Summary
| Name: | [3-(dibutylamino)propyl]phosphonic acid |
| Formula: | C11 H26 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 251.303 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [3-(dibutylamino)propyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.7 | 3-(dibutylamino)propylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCP(O)(O)=O)N(CCCC)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C11H26NO3P/c1-3-5-8-12(9-6-4-2)10-7-11-16(13,14)15/h3-11H2,1-2H3,(H2,13,14,15) |
| InChIKey | InChI | 1.03 | XATRQYYMOIGUKL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCN(CCCC)CCC[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CCCCN(CCCC)CCC[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCN(CCCC)CCCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCN(CCCC)CCCP(=O)(O)O |
