1,8-Diazacyclotetradecane-2,9-dione
PubChem CID: 16
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| Compound Synonyms | 1,8-diazacyclotetradecane-2,9-dione, 56403-09-9, 6-Aminohexanoate Cyclic Dimer, 7,14-Diazacyclotetradecane-1,8-dione, UNII-LIJ968E05S, LIJ968E05S, CAPROLACTAM CYCLIC DIMER, 1,8-DIAZA-2,9-DIKETOCYCLOTETRADECANE, ADTN, (+), CHEBI:16968, DTXSID90204974, 1,8-DIAZA-2,9-DIOXOCYCLOTETRADECANE, CYCLIC DIMER OF .EPSILON.-CAPROLACTAM, .EPSILON.-AMINOCAPROIC ACID CYCLIC DIMER, nylon cyclic dimer, 2H-AZEPIN-2-ONE, HEXAHYDRO-, CYCLIC DIMER, nylon 6 cyclic dimer, ACD, 1,8-Diaza-2,9-dioxo-cyclo-tetradecan, PA 6 DIMER, Cyclic Dimer of Caprolactam, CAS_16, NSC_16, BDBM81871, 6-aminohexanoic acid cyclic dimer, DTXCID20127465, CHEBI:133923, GCA40309, AKOS016027661, CYCLIC DIMER OF EPSILON-CAPROLACTAM, DB-291151, EPSILON-AMINOCAPROIC ACID CYCLIC DIMER, NS00010779, C04277, C20990, Q27102157, 611-385-5 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8-diazacyclotetradecane-2,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C12H22N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HERSSAVMHCMYSQ-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.762 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.021 |
| Compound Name | 1,8-Diazacyclotetradecane-2,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.168 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8479839999999998 |
| Inchi | 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) |
| Smiles | C1CCC(=O)NCCCCCC(=O)NCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aralia Taibaiensis (Plant) Rel Props:Source_db:cmaup_ingredients