Basic information
- CAS
56403-09-9- Standard SMILES
O=C1CCCCCNC(=O)CCCCCN1- InChIKey
HERSSAVMHCMYSQ-UHFFFAOYSA-N- Molecular formula
- C12H22N2O2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.16812795
Names & identifiers
- Preferred name
- 1,8-Diazacyclotetradecane-2,9-dione
- IUPAC
- 1,8-diazacyclotetradecane-2,9-dione
- English name
- 1,8-diazacyclotetradecane-2,9-dione
- Molecular formula
- C12H22N2O2
- Molecular weight
- 226.32
Names & synonyms
1,8-diazacyclotetradecane-2,9-dione56403-09-96-Aminohexanoate Cyclic Dimer7,14-Diazacyclotetradecane-1,8-dioneUNII-LIJ968E05S1,8-DIAZA-2,9-DIKETOCYCLOTETRADECANELIJ968E05SCAPROLACTAM CYCLIC DIMERCHEBI:16968DTXSID902049741,8-DIAZA-2,9-DIOXOCYCLOTETRADECANECYCLIC DIMER OF .EPSILON.-CAPROLACTAM
Show more names
Caprolactam DimerAdipic Acid Impurity 76Aminocaproic acid Impurity K
.EPSILON.-AMINOCAPROIC ACID CYCLIC DIMER2H-AZEPIN-2-ONE, HEXAHYDRO-, CYCLIC DIMERRefChem:73735DTXCID20127465CYCLIC DIMER OF EPSILON-CAPROLACTAMEPSILON-AMINOCAPROIC ACID CYCLIC DIMER611-385-5HERSSAVMHCMYSQ-UHFFFAOYSA-N
Database identifiers
- CAS
56403-09-9- PubChem CID
- 16
- DTXSID
DTXSID90204974- ChEBI
CHEBI:16968- UNII
- LIJ968E05S
- EC Number
- 611-385-5
- Nikkaji
- J450.663D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 341 °C · 341 °C
- Boiling point
- 497.8 · 497.8±38.0 °C(Predicted)
- Density
- 0.969 · 0.969±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 16.05 · 16.05±0.20(Predicted)
- color
- White to Off-White
- FDA UNII
- 968 E05S · LIJ968E05S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,8-Diaza-2,9-diketocyclotetradecane is a dimer of Caprolactam (C175665), an amonomer used in the production of nylon-6 and other synthetic polymers.
Upstream & downstream products
Upstream raw materials
Suppliers16 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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