HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,8-Diazacyclotetradecane-2,9-dione
Caprolactam Dimer · Adipic Acid Impurity 76 · Caprolactam cyclic dimer · Aminocaproic acid Impurity K · 1,8-diazacyclotetradecane-2,9-dione · 7,14-diazacyclotetradecane-1,8-dione

Identifiers & Physical Properties
| CAS No. | 56403-09-9 |
|---|---|
| Molecular formula | C12H22N2O2 |
| Average molar mass | 226.32 g/mol |
| Monoisotopic mass | 226.16812795 g/mol |
| SMILES | O=C1CCCCCNC(=O)CCCCCN1 |
| InChIKey | HERSSAVMHCMYSQ-UHFFFAOYSA-N |
| PubChem CID | 16 |
| ChEBI | CHEBI:16968 |
| EC No. | 611-385-5 |
| DTXSID | DTXSID90204974 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 58.2 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 205 |
| Melting point | 341 °C |
| Boiling point | 497.8±38.0 °C(Predicted) |
| Density | 0.969±0.06 g/cm3(Predicted) |
| Solubility | DMSO (Slightly, Heated), Methanol (Slightly, Heated) |
| Physical state | Solid |
| pKa (acidity coefficient) | 16.05±0.20(Predicted) |
| Color | White to Off-White |
| FDA UNII | LIJ968E05S |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
1,8-Diaza-2,9-diketocyclotetradecane is a dimer of Caprolactam (C175665), an amonomer used in the production of nylon-6 and other synthetic polymers.