1,8-Diazacyclotetradecane-2,7-dione
Basic information
- CAS
4266-66-4- Standard SMILES
O=C1CCCCC(=O)NCCCCCCN1- InChIKey
SXNYYEPTQTZOHG-UHFFFAOYSA-N- Molecular formula
- C12H22N2O2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.16812795
Names & identifiers
- Preferred name
- 1,8-Diazacyclotetradecane-2,7-dione
- IUPAC
- 1,8-diazacyclotetradecane-2,7-dione
- English name
- 1,8-Diazacyclotetradecane-2,7-dione
- Molecular formula
- C12H22N2O2
- Molecular weight
- 226.32
Names & synonyms
1,8-Diazacyclotetradecane-2,7-dione4266-66-4DTXSID70962621RefChem:417884DTXCID601390418995-915-31.8-Diazacyclotetradecane-2,7-dioneMFCD22571541NSC138477NSC 1384771,7-dionePA 66 CYCLIC MONOMER
Show more names
SCHEMBL276825SXNYYEPTQTZOHG-UHFFFAOYSA-NAKOS028108657FD36374NSC-138477MSK161419-1000A1,8-Diazacyclotetradeca-1,7-diene-2,7-diolA11115
Database identifiers
- CAS
4266-66-4- PubChem CID
- 283592
- DTXSID
DTXSID70962621- EC Number
- 995-915-3
- Nikkaji
- J772.151J
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
- 263 °C · 263 °C
- Boiling point
- 497.8 · 497.8±38.0 °C(Predicted)
- Density
- 0.969 · 0.969±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Sparingly, Heated), Methanol (Slightly)
- form
- Solid
- pka
- 16.01 · 16.01±0.20(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1.8-Diazacyclotetradecane-2,7-dione is a polymer additive present in textile fibers.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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