Showing Metabocard for 1,8-diazacyclotetradecane-2,9-dione (BASm0000800)
| Common Name | 1,8-diazacyclotetradecane-2,9-dione |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C12H22N2O2 |
| Average Mass | 226.32000 |
| Monoisotopic Mass | 226.16813 |
| IUPAC Name | cyclotetradecane |
| Traditional Name | Cyclotetradecane |
| CAS Registry Number | Not Available |
| SMILES | O=C1CCCCCNC(=O)CCCCCN1 |
| InChI Identifier | InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15) |
| InChI Key | HERSSAVMHCMYSQ-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:16968 |
| MiMeDB ID | MMDBc0055140 |
| State | Expected Solid |
| Water Solubility | 5.91e-05 g/l |
| logP | 7.43 |
| logS | -6.52 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 0 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 0 Ų |
| Rotatable Bond Count | 0 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 64.41 m³·mol⁻¹ |
| Polarizability | 26.53 |