S9X
Summary
| Name: | 2-azanyl-2-butyl-hexanal |
| Formula: | C10 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 187.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-2-butyl-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13) |
| InChIKey | InChI | 1.06 | CAITYLFVJGDODP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(N)(CCCC)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC(N)(CCCC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC(CCCC)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(CCCC)(C(=O)O)N |
